N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide

C16H16BrClN2O — CID 16553113

IUPACN-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(Br)c(C)c2)c(Cl)c1
InChIInChI=1S/C16H16BrClN2O/c1-10-3-6-15(14(18)7-10)19-9-16(21)20-12-4-5-13(17)11(2)8-12/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyQPYPTAJWKBSZEA-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.77
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide

N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide (PubChem CID 16553113) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide
PubChem CID16553113
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(Br)c(C)c2)c(Cl)c1
InChIInChI=1S/C16H16BrClN2O/c1-10-3-6-15(14(18)7-10)19-9-16(21)20-12-4-5-13(17)11(2)8-12/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyQPYPTAJWKBSZEA-UHFFFAOYSA-N
XLogP4.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099923
2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide
CID 42026444
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 35824178
2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 35418701
2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4789173
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498956
2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 9079994
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide (CID 16553113) is N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide is Cc1ccc(NCC(=O)Nc2ccc(Br)c(C)c2)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide?
The InChIKey is QPYPTAJWKBSZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-10-3-6-15(14(18)7-10)19-9-16(21)20-12-4-5-13(17)11(2)8-12/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide?
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide has a molecular weight of 367.67 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide is sourced from PubChem (CID 16553113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).