N-(3-aminophenyl)-3-chloro-2-methylbenzamide

C14H13ClN2O — CID 110484087

IUPACN-(3-aminophenyl)-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H13ClN2O/c1-9-12(6-3-7-13(9)15)14(18)17-11-5-2-4-10(16)8-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyVPPWVFZWLMBSGG-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.48
Rot. Bonds2

About N-(3-aminophenyl)-3-chloro-2-methylbenzamide

N-(3-aminophenyl)-3-chloro-2-methylbenzamide (PubChem CID 110484087) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-chloro-2-methylbenzamide
PubChem CID110484087
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-(3-aminophenyl)-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H13ClN2O/c1-9-12(6-3-7-13(9)15)14(18)17-11-5-2-4-10(16)8-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyVPPWVFZWLMBSGG-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 107095827
N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
CID 107095769
N-(4-amino-3-chlorophenyl)-2,3-dimethylbenzamide
CID 82861424
N-(2-amino-5-chlorophenyl)-3-chloro-2-methylbenzamide
CID 107095714
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
CID 16788699
N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide
CID 110484078
N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 84614417

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-chloro-2-methylbenzamide?
The IUPAC name of N-(3-aminophenyl)-3-chloro-2-methylbenzamide (CID 110484087) is N-(3-aminophenyl)-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-3-chloro-2-methylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-3-chloro-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-chloro-2-methylbenzamide?
The InChIKey is VPPWVFZWLMBSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-12(6-3-7-13(9)15)14(18)17-11-5-2-4-10(16)8-11/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(3-aminophenyl)-3-chloro-2-methylbenzamide?
N-(3-aminophenyl)-3-chloro-2-methylbenzamide has a molecular weight of 260.72 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-chloro-2-methylbenzamide is sourced from PubChem (CID 110484087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).