4-amino-2-chloro-N-(4-methoxyphenyl)benzamide

C14H13ClN2O2 — CID 16792666

IUPAC4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)cc2Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-19-11-5-3-10(4-6-11)17-14(18)12-7-2-9(16)8-13(12)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyFCMQFXMWLYHROE-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.18
Rot. Bonds3

About 4-amino-2-chloro-N-(4-methoxyphenyl)benzamide

4-amino-2-chloro-N-(4-methoxyphenyl)benzamide (PubChem CID 16792666) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
PubChem CID16792666
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)cc2Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-19-11-5-3-10(4-6-11)17-14(18)12-7-2-9(16)8-13(12)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyFCMQFXMWLYHROE-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
CID 28748853
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
CID 28748885
5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide
CID 61092438
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79048624
4-chloro-2-(hydroxyamino)-N-(4-methoxyphenyl)benzamide
CID 89356019
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
N-(5-amino-2-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 43548769
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
(4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone
CID 18358234

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(4-methoxyphenyl)benzamide (CID 16792666) is 4-amino-2-chloro-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(N)cc2Cl)cc1.
What is the InChIKey of 4-amino-2-chloro-N-(4-methoxyphenyl)benzamide?
The InChIKey is FCMQFXMWLYHROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-11-5-3-10(4-6-11)17-14(18)12-7-2-9(16)8-13(12)15/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-2-chloro-N-(4-methoxyphenyl)benzamide?
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide has a molecular weight of 276.72 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 16792666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).