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

C13H10ClFN2O — CID 16787993

IUPAC4-amino-2-chloro-N-(4-fluorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C13H10ClFN2O/c14-12-7-9(16)3-6-11(12)13(18)17-10-4-1-8(15)2-5-10/h1-7H,16H2,(H,17,18)
InChIKeyAZTRNLPJHHBVRQ-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.31
Rot. Bonds2

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

4-amino-2-chloro-N-(4-fluorophenyl)benzamide (PubChem CID 16787993) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(4-fluorophenyl)benzamide
PubChem CID16787993
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name4-amino-2-chloro-N-(4-fluorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C13H10ClFN2O/c14-12-7-9(16)3-6-11(12)13(18)17-10-4-1-8(15)2-5-10/h1-7H,16H2,(H,17,18)
InChIKeyAZTRNLPJHHBVRQ-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.31
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

4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79048624
4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
CID 28748853
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
N-(4-aminophenyl)-3-chloro-2-fluorobenzamide
CID 81267741
5-amino-2-cyano-N-(4-fluorophenyl)benzamide
CID 122618305
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(4-fluorophenyl)benzamide (CID 16787993) is 4-amino-2-chloro-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(4-fluorophenyl)benzamide is Nc1ccc(C(=O)Nc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(4-fluorophenyl)benzamide?
The InChIKey is AZTRNLPJHHBVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-12-7-9(16)3-6-11(12)13(18)17-10-4-1-8(15)2-5-10/h1-7H,16H2,(H,17,18).
What are the key properties of 4-amino-2-chloro-N-(4-fluorophenyl)benzamide?
4-amino-2-chloro-N-(4-fluorophenyl)benzamide has a molecular weight of 264.69 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 16787993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).