2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide

C154H168ClN15O16S — CID 158991600

IUPAC2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(C)cc1.CCC(=O)Nc1ccc(C)cc1.CCOC(=O)c1ccc(NC(=O)Nc2cccc(C)c2)cc1.Cc1ccc(NC(=O)C2CC2)cc1.Cc1ccc(NC(=O)CCl)cc1.Cc1ccc(NC(=O)N2CCOCC2)cc1.Cc1ccc(NC(=O)c2ccccc2)cc1.Cc1ccc(S(N)(=O)=O)cc1.Cc1ccc2c(c1)CCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccccc2c1.Cc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1.Cc1cccc(NC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C20H18N2O2.C17H18N2O3.C15H16N2O.C14H13NO.C12H16N2O2.C11H13NO.C11H10.C10H13NO.C10H11N.C9H10ClNO.C9H11NO.C9H10O.C7H9NO2S/c1-15-6-5-7-17(14-15)22-20(23)21-16-10-12-19(13-11-16)24-18-8-3-2-4-9-18;1-3-22-16(20)13-7-9-14(10-8-13)18-17(21)19-15-6-4-5-12(2)11-15;1-11-6-5-8-13(10-11)16-15(18)17-14-9-4-3-7-12(14)2;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;1-8-2-6-10(7-3-8)12-11(13)9-4-5-9;1-9-6-7-10-4-2-3-5-11(10)8-9;1-3-10(12)11-9-6-4-8(2)5-7-9;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;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-14H,1H3,(H2,21,22,23);4-11H,3H2,1-2H3,(H2,18,19,21);3-10H,1-2H3,(H2,16,17,18);2-10H,1H3,(H,15,16);2-5H,6-9H2,1H3,(H,13,15);2-3,6-7,9H,4-5H2,1H3,(H,12,13);2-8H,1H3;4-7H,3H2,1-2H3,(H,11,12);3-7H,1-2H3;2-5H,6H2,1H3,(H,11,12);3-6H,1-2H3,(H,10,11);2-3,6H,4-5H2,1H3;2-5H,1H3,(H2,8,9,10)
InChIKeyJQFNWQVXYULPKS-UHFFFAOYSA-N
MW2552.65 g/mol
LogP35.32
Rot. Bonds21

About 2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide

2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide (PubChem CID 158991600) has the molecular formula C154H168ClN15O16S and a molecular weight of 2552.65 g/mol. Its IUPAC name is 2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide
PubChem CID158991600
Molecular FormulaC154H168ClN15O16S
Molecular Weight2552.65 g/mol
Exact Mass2550.22
IUPAC Name2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(C)cc1.CCC(=O)Nc1ccc(C)cc1.CCOC(=O)c1ccc(NC(=O)Nc2cccc(C)c2)cc1.Cc1ccc(NC(=O)C2CC2)cc1.Cc1ccc(NC(=O)CCl)cc1.Cc1ccc(NC(=O)N2CCOCC2)cc1.Cc1ccc(NC(=O)c2ccccc2)cc1.Cc1ccc(S(N)(=O)=O)cc1.Cc1ccc2c(c1)CCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccccc2c1.Cc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1.Cc1cccc(NC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C20H18N2O2.C17H18N2O3.C15H16N2O.C14H13NO.C12H16N2O2.C11H13NO.C11H10.C10H13NO.C10H11N.C9H10ClNO.C9H11NO.C9H10O.C7H9NO2S/c1-15-6-5-7-17(14-15)22-20(23)21-16-10-12-19(13-11-16)24-18-8-3-2-4-9-18;1-3-22-16(20)13-7-9-14(10-8-13)18-17(21)19-15-6-4-5-12(2)11-15;1-11-6-5-8-13(10-11)16-15(18)17-14-9-4-3-7-12(14)2;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;1-8-2-6-10(7-3-8)12-11(13)9-4-5-9;1-9-6-7-10-4-2-3-5-11(10)8-9;1-3-10(12)11-9-6-4-8(2)5-7-9;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;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-14H,1H3,(H2,21,22,23);4-11H,3H2,1-2H3,(H2,18,19,21);3-10H,1-2H3,(H2,16,17,18);2-10H,1H3,(H,15,16);2-5H,6-9H2,1H3,(H,13,15);2-3,6-7,9H,4-5H2,1H3,(H,12,13);2-8H,1H3;4-7H,3H2,1-2H3,(H,11,12);3-7H,1-2H3;2-5H,6H2,1H3,(H,11,12);3-6H,1-2H3,(H,10,11);2-3,6H,4-5H2,1H3;2-5H,1H3,(H2,8,9,10)
InChIKeyJQFNWQVXYULPKS-UHFFFAOYSA-N
XLogP35.32
TPSA420.31 Ų
H-Bond Donors13
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002552.65
LogP ≤ 535.32
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide with MolForge

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Related Compounds

CID 157246849
CID 157246849

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide?
The IUPAC name of 2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide (CID 158991600) is 2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide is CC(=O)Nc1ccc(C)cc1.CCC(=O)Nc1ccc(C)cc1.CCOC(=O)c1ccc(NC(=O)Nc2cccc(C)c2)cc1.Cc1ccc(NC(=O)C2CC2)cc1.Cc1ccc(NC(=O)CCl)cc1.Cc1ccc(NC(=O)N2CCOCC2)cc1.Cc1ccc(NC(=O)c2ccccc2)cc1.Cc1ccc(S(N)(=O)=O)cc1.Cc1ccc2c(c1)CCO2.Cc1ccc2c(ccn2C)c1.Cc1ccc2ccccc2c1.Cc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1.Cc1cccc(NC(=O)Nc2ccccc2C)c1.
What is the InChIKey of 2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide?
The InChIKey is JQFNWQVXYULPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2.C17H18N2O3.C15H16N2O.C14H13NO.C12H16N2O2.C11H13NO.C11H10.C10H13NO.C10H11N.C9H10ClNO.C9H11NO.C9H10O.C7H9NO2S/c1-15-6-5-7-17(14-15)22-20(23)21-16-10-12-19(13-11-16)24-18-8-3-2-4-9-18;1-3-22-16(20)13-7-9-14(10-8-13)18-17(21)19-15-6-4-5-12(2)11-15;1-11-6-5-8-13(10-11)16-15(18)17-14-9-4-3-7-12(14)2;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;1-8-2-6-10(7-3-8)12-11(13)9-4-5-9;1-9-6-7-10-4-2-3-5-11(10)8-9;1-3-10(12)11-9-6-4-8(2)5-7-9;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;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-14H,1H3,(H2,21,22,23);4-11H,3H2,1-2H3,(H2,18,19,21);3-10H,1-2H3,(H2,16,17,18);2-10H,1H3,(H,15,16);2-5H,6-9H2,1H3,(H,13,15);2-3,6-7,9H,4-5H2,1H3,(H,12,13);2-8H,1H3;4-7H,3H2,1-2H3,(H,11,12);3-7H,1-2H3;2-5H,6H2,1H3,(H,11,12);3-6H,1-2H3,(H,10,11);2-3,6H,4-5H2,1H3;2-5H,1H3,(H2,8,9,10).
What are the key properties of 2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide?
2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide has a molecular weight of 2552.65 g/mol, XLogP of 35.32, 21 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylphenyl)acetamide;1,5-dimethylindole;ethyl 4-[(3-methylphenyl)carbamoylamino]benzoate;4-methylbenzenesulfonamide;5-methyl-2,3-dihydro-1-benzofuran;2-methylnaphthalene;N-(4-methylphenyl)acetamide;N-(4-methylphenyl)benzamide;N-(4-methylphenyl)cyclopropanecarboxamide;1-(2-methylphenyl)-3-(3-methylphenyl)urea;N-(4-methylphenyl)morpholine-4-carboxamide;1-(3-methylphenyl)-3-(4-phenoxyphenyl)urea;N-(4-methylphenyl)propanamide is sourced from PubChem (CID 158991600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).