1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea

C169H188Cl3N17O15S — CID 157246849

IUPAC1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea
SMILESCC(=O)Nc1ccc(C)cc1.Cc1cc2ccccc2[nH]1.Cc1ccc(CC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1.Cc1ccc(NC(=O)C2CC2)cc1.Cc1ccc(NC(=O)CCl)cc1.Cc1ccc(NC(=O)N2CCOCC2)cc1.Cc1ccc(NC(=O)NCCCCl)cc1.Cc1ccc(NC(=O)NCCCl)cc1.Cc1ccc(NC(=O)NCCc2ccccc2)cc1.Cc1ccc(NC(=O)c2ccccc2)cc1.Cc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1.Cc1ccc2c(c1)CCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccccc2c1
InChIInChI=1S/C22H20O2.C16H19N3O3S.C16H18N2O.C14H13NO.C12H16N2O2.C11H15ClN2O.C11H13NO.C11H10.C10H13ClN2O.C10H11N.C9H10ClNO.C9H11NO.C9H9N.C9H10O/c1-17-7-9-18(10-8-17)15-20(23)16-19-11-13-22(14-12-19)24-21-5-3-2-4-6-21;1-13-2-4-14(5-3-13)18-23(20,21)15-6-7-16(17-12-15)19-8-10-22-11-9-19;1-13-7-9-15(10-8-13)18-16(19)17-12-11-14-5-3-2-4-6-14;1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12;1-10-2-4-11(5-3-10)13-12(15)14-6-8-16-9-7-14;1-9-3-5-10(6-4-9)14-11(15)13-8-2-7-12;1-8-2-6-10(7-3-8)12-11(13)9-4-5-9;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-2-4-9(5-3-8)13-10(14)12-7-6-11;1-8-3-4-10-9(7-8)5-6-11(10)2;1-7-2-4-8(5-3-7)11-9(12)6-10;1-7-3-5-9(6-4-7)10-8(2)11;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9/h2-14H,15-16H2,1H3;2-7,12,18H,8-11H2,1H3;2-10H,11-12H2,1H3,(H2,17,18,19);2-10H,1H3,(H,15,16);2-5H,6-9H2,1H3,(H,13,15);3-6H,2,7-8H2,1H3,(H2,13,14,15);2-3,6-7,9H,4-5H2,1H3,(H,12,13);2-8H,1H3;2-5H,6-7H2,1H3,(H2,12,13,14);3-7H,1-2H3;2-5H,6H2,1H3,(H,11,12);3-6H,1-2H3,(H,10,11);2-6,10H,1H3;2-3,6H,4-5H2,1H3
InChIKeyAVWMMCRGTDUTHB-UHFFFAOYSA-N
MW2835.89 g/mol
LogP37.25
Rot. Bonds29

About 1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea

1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea (PubChem CID 157246849) has the molecular formula C169H188Cl3N17O15S and a molecular weight of 2835.89 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea
PubChem CID157246849
Molecular FormulaC169H188Cl3N17O15S
Molecular Weight2835.89 g/mol
Exact Mass2832.33
IUPAC Name1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea
SMILESCC(=O)Nc1ccc(C)cc1.Cc1cc2ccccc2[nH]1.Cc1ccc(CC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1.Cc1ccc(NC(=O)C2CC2)cc1.Cc1ccc(NC(=O)CCl)cc1.Cc1ccc(NC(=O)N2CCOCC2)cc1.Cc1ccc(NC(=O)NCCCCl)cc1.Cc1ccc(NC(=O)NCCCl)cc1.Cc1ccc(NC(=O)NCCc2ccccc2)cc1.Cc1ccc(NC(=O)c2ccccc2)cc1.Cc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1.Cc1ccc2c(c1)CCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccccc2c1
InChIInChI=1S/C22H20O2.C16H19N3O3S.C16H18N2O.C14H13NO.C12H16N2O2.C11H15ClN2O.C11H13NO.C11H10.C10H13ClN2O.C10H11N.C9H10ClNO.C9H11NO.C9H9N.C9H10O/c1-17-7-9-18(10-8-17)15-20(23)16-19-11-13-22(14-12-19)24-21-5-3-2-4-6-21;1-13-2-4-14(5-3-13)18-23(20,21)15-6-7-16(17-12-15)19-8-10-22-11-9-19;1-13-7-9-15(10-8-13)18-16(19)17-12-11-14-5-3-2-4-6-14;1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12;1-10-2-4-11(5-3-10)13-12(15)14-6-8-16-9-7-14;1-9-3-5-10(6-4-9)14-11(15)13-8-2-7-12;1-8-2-6-10(7-3-8)12-11(13)9-4-5-9;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-2-4-9(5-3-8)13-10(14)12-7-6-11;1-8-3-4-10-9(7-8)5-6-11(10)2;1-7-2-4-8(5-3-7)11-9(12)6-10;1-7-3-5-9(6-4-7)10-8(2)11;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9/h2-14H,15-16H2,1H3;2-7,12,18H,8-11H2,1H3;2-10H,11-12H2,1H3,(H2,17,18,19);2-10H,1H3,(H,15,16);2-5H,6-9H2,1H3,(H,13,15);3-6H,2,7-8H2,1H3,(H2,13,14,15);2-3,6-7,9H,4-5H2,1H3,(H,12,13);2-8H,1H3;2-5H,6-7H2,1H3,(H2,12,13,14);3-7H,1-2H3;2-5H,6H2,1H3,(H,11,12);3-6H,1-2H3,(H,10,11);2-6,10H,1H3;2-3,6H,4-5H2,1H3
InChIKeyAVWMMCRGTDUTHB-UHFFFAOYSA-N
XLogP37.25
TPSA409.14 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002835.89
LogP ≤ 537.25
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea (CID 157246849) is 1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea is CC(=O)Nc1ccc(C)cc1.Cc1cc2ccccc2[nH]1.Cc1ccc(CC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1.Cc1ccc(NC(=O)C2CC2)cc1.Cc1ccc(NC(=O)CCl)cc1.Cc1ccc(NC(=O)N2CCOCC2)cc1.Cc1ccc(NC(=O)NCCCCl)cc1.Cc1ccc(NC(=O)NCCCl)cc1.Cc1ccc(NC(=O)NCCc2ccccc2)cc1.Cc1ccc(NC(=O)c2ccccc2)cc1.Cc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1.Cc1ccc2c(c1)CCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea?
The InChIKey is AVWMMCRGTDUTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2.C16H19N3O3S.C16H18N2O.C14H13NO.C12H16N2O2.C11H15ClN2O.C11H13NO.C11H10.C10H13ClN2O.C10H11N.C9H10ClNO.C9H11NO.C9H9N.C9H10O/c1-17-7-9-18(10-8-17)15-20(23)16-19-11-13-22(14-12-19)24-21-5-3-2-4-6-21;1-13-2-4-14(5-3-13)18-23(20,21)15-6-7-16(17-12-15)19-8-10-22-11-9-19;1-13-7-9-15(10-8-13)18-16(19)17-12-11-14-5-3-2-4-6-14;1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12;1-10-2-4-11(5-3-10)13-12(15)14-6-8-16-9-7-14;1-9-3-5-10(6-4-9)14-11(15)13-8-2-7-12;1-8-2-6-10(7-3-8)12-11(13)9-4-5-9;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-2-4-9(5-3-8)13-10(14)12-7-6-11;1-8-3-4-10-9(7-8)5-6-11(10)2;1-7-2-4-8(5-3-7)11-9(12)6-10;1-7-3-5-9(6-4-7)10-8(2)11;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9/h2-14H,15-16H2,1H3;2-7,12,18H,8-11H2,1H3;2-10H,11-12H2,1H3,(H2,17,18,19);2-10H,1H3,(H,15,16);2-5H,6-9H2,1H3,(H,13,15);3-6H,2,7-8H2,1H3,(H2,13,14,15);2-3,6-7,9H,4-5H2,1H3,(H,12,13);2-8H,1H3;2-5H,6-7H2,1H3,(H2,12,13,14);3-7H,1-2H3;2-5H,6H2,1H3,(H,11,12);3-6H,1-2H3,(H,10,11);2-6,10H,1H3;2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea?
1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea has a molecular weight of 2835.89 g/mol, XLogP of 37.25, 29 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-(4-methylphenyl)urea;2-chloro-N-(4-methylphenyl)acetamide;1-(3-chloropropyl)-3-(4-methylphenyl)urea;1,5-dimethylindole;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;N-(4-methylphenyl)morpholine-4-carboxamide;N-(4-methylphenyl)-6-morpholin-4-ylpyridine-3-sulfonamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 157246849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).