N-(3-amino-4-chlorophenyl)-3-methylbenzamide

C14H13ClN2O — CID 16772508

IUPACN-(3-amino-4-chlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C14H13ClN2O/c1-9-3-2-4-10(7-9)14(18)17-11-5-6-12(15)13(16)8-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyOZMXSZWDYSJPBJ-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.48
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-3-methylbenzamide

N-(3-amino-4-chlorophenyl)-3-methylbenzamide (PubChem CID 16772508) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-methylbenzamide
PubChem CID16772508
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-(3-amino-4-chlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C14H13ClN2O/c1-9-3-2-4-10(7-9)14(18)17-11-5-6-12(15)13(16)8-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyOZMXSZWDYSJPBJ-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

3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
CID 28867862
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
CID 28722825
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-(3-amino-4-chlorophenyl)-2,6-dihydroxybenzamide
CID 107687543
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-methylbenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-methylbenzamide (CID 16772508) is N-(3-amino-4-chlorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-methylbenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-methylbenzamide?
The InChIKey is OZMXSZWDYSJPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-3-2-4-10(7-9)14(18)17-11-5-6-12(15)13(16)8-11/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-methylbenzamide?
N-(3-amino-4-chlorophenyl)-3-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-amino-4-chlorophenyl)-3-methylbenzamide is sourced from PubChem (CID 16772508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).