2-amino-5-chloro-N-(4-methylphenyl)benzamide

C14H13ClN2O — CID 6481532

IUPAC2-amino-5-chloro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1
InChIInChI=1S/C14H13ClN2O/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(15)4-7-13(12)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyQGOWUYMDDLANDV-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.48
Rot. Bonds2

About 2-amino-5-chloro-N-(4-methylphenyl)benzamide

2-amino-5-chloro-N-(4-methylphenyl)benzamide (PubChem CID 6481532) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(4-methylphenyl)benzamide
PubChem CID6481532
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-amino-5-chloro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1
InChIInChI=1S/C14H13ClN2O/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(15)4-7-13(12)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyQGOWUYMDDLANDV-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

2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
CID 82881267
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836
5-chloro-2-(ethylamino)-N-(4-methylphenyl)benzamide
CID 62165915

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(4-methylphenyl)benzamide (CID 6481532) is 2-amino-5-chloro-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1.
What is the InChIKey of 2-amino-5-chloro-N-(4-methylphenyl)benzamide?
The InChIKey is QGOWUYMDDLANDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(15)4-7-13(12)16/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-5-chloro-N-(4-methylphenyl)benzamide?
2-amino-5-chloro-N-(4-methylphenyl)benzamide 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 2-amino-5-chloro-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 6481532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).