1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea

C126H139Cl2N11O8 — CID 161404970

IUPAC1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCc1cc2ccccc2[nH]1.Cc1ccc(CC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1.Cc1ccc(NC(=O)C2CC2)cc1.Cc1ccc(NC(=O)NCCCCl)cc1.Cc1ccc(NC(=O)NCCCl)cc1.Cc1ccc(NC(=O)NCCc2ccccc2)cc1.Cc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1.Cc1ccc2c(c1)CCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccccc2c1
InChIInChI=1S/C22H20O2.C17H20N2O.C16H18N2O.C11H15ClN2O.C11H13NO.C11H10.C10H13ClN2O.C10H11N.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;1-12(2)14-6-10-16(11-7-14)19-17(20)18-15-8-4-13(3)5-9-15;1-13-7-9-15(10-8-13)18-16(19)17-12-11-14-5-3-2-4-6-14;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;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9/h2-14H,15-16H2,1H3;4-12H,1-3H3,(H2,18,19,20);2-10H,11-12H2,1H3,(H2,17,18,19);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;2-6,10H,1H3;2-3,6H,4-5H2,1H3
InChIKeyVUSKWNDWVAARCN-UHFFFAOYSA-N
MW2006.47 g/mol
LogP30.75
Rot. Bonds22

About 1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea

1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 161404970) has the molecular formula C126H139Cl2N11O8 and a molecular weight of 2006.47 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
PubChem CID161404970
Molecular FormulaC126H139Cl2N11O8
Molecular Weight2006.47 g/mol
Exact Mass2004.02
IUPAC Name1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCc1cc2ccccc2[nH]1.Cc1ccc(CC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1.Cc1ccc(NC(=O)C2CC2)cc1.Cc1ccc(NC(=O)NCCCCl)cc1.Cc1ccc(NC(=O)NCCCl)cc1.Cc1ccc(NC(=O)NCCc2ccccc2)cc1.Cc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1.Cc1ccc2c(c1)CCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccccc2c1
InChIInChI=1S/C22H20O2.C17H20N2O.C16H18N2O.C11H15ClN2O.C11H13NO.C11H10.C10H13ClN2O.C10H11N.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;1-12(2)14-6-10-16(11-7-14)19-17(20)18-15-8-4-13(3)5-9-15;1-13-7-9-15(10-8-13)18-16(19)17-12-11-14-5-3-2-4-6-14;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;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9/h2-14H,15-16H2,1H3;4-12H,1-3H3,(H2,18,19,20);2-10H,11-12H2,1H3,(H2,17,18,19);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;2-6,10H,1H3;2-3,6H,4-5H2,1H3
InChIKeyVUSKWNDWVAARCN-UHFFFAOYSA-N
XLogP30.75
TPSA249.87 Ų
H-Bond Donors10
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.47
LogP ≤ 530.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 109

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;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea (CID 161404970) is 1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea is Cc1cc2ccccc2[nH]1.Cc1ccc(CC(=O)Cc2ccc(Oc3ccccc3)cc2)cc1.Cc1ccc(NC(=O)C2CC2)cc1.Cc1ccc(NC(=O)NCCCCl)cc1.Cc1ccc(NC(=O)NCCCl)cc1.Cc1ccc(NC(=O)NCCc2ccccc2)cc1.Cc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1.Cc1ccc2c(c1)CCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is VUSKWNDWVAARCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2.C17H20N2O.C16H18N2O.C11H15ClN2O.C11H13NO.C11H10.C10H13ClN2O.C10H11N.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;1-12(2)14-6-10-16(11-7-14)19-17(20)18-15-8-4-13(3)5-9-15;1-13-7-9-15(10-8-13)18-16(19)17-12-11-14-5-3-2-4-6-14;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;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9/h2-14H,15-16H2,1H3;4-12H,1-3H3,(H2,18,19,20);2-10H,11-12H2,1H3,(H2,17,18,19);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;2-6,10H,1H3;2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea?
1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 2006.47 g/mol, XLogP of 30.75, 22 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-(4-methylphenyl)urea;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)cyclopropanecarboxamide;1-(4-methylphenyl)-3-(4-phenoxyphenyl)propan-2-one;1-(4-methylphenyl)-3-(2-phenylethyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 161404970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).