2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide

C14H12ClFN2O2 — CID 80504103

IUPAC2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(N)c1
InChIInChI=1S/C14H12ClFN2O2/c1-20-9-3-4-10(13(17)7-9)14(19)18-8-2-5-12(16)11(15)6-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyJFXBUUZTRWPQKH-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.32
Rot. Bonds3

About 2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide

2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide (PubChem CID 80504103) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
PubChem CID80504103
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(N)c1
InChIInChI=1S/C14H12ClFN2O2/c1-20-9-3-4-10(13(17)7-9)14(19)18-8-2-5-12(16)11(15)6-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyJFXBUUZTRWPQKH-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.32
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

N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
2-amino-N-(2,6-dichlorophenyl)-4-methoxybenzamide
CID 110451620
N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
CID 82546305
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
CID 107679870
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146
2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 115412483
2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide (CID 80504103) is 2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(N)c1.
What is the InChIKey of 2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide?
The InChIKey is JFXBUUZTRWPQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-20-9-3-4-10(13(17)7-9)14(19)18-8-2-5-12(16)11(15)6-8/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide?
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide has a molecular weight of 294.71 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide is sourced from PubChem (CID 80504103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).