4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide

C14H11F3N2O2 — CID 63185657

IUPAC4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1cc(F)ccc1NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C14H11F3N2O2/c1-21-12-6-8(15)2-3-11(12)19-14(20)7-4-9(16)13(18)10(17)5-7/h2-6H,18H2,1H3,(H,19,20)
InChIKeyHYBIEXQBOVXSCV-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.95
Rot. Bonds3

About 4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide

4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide (PubChem CID 63185657) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
PubChem CID63185657
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1cc(F)ccc1NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C14H11F3N2O2/c1-21-12-6-8(15)2-3-11(12)19-14(20)7-4-9(16)13(18)10(17)5-7/h2-6H,18H2,1H3,(H,19,20)
InChIKeyHYBIEXQBOVXSCV-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
CID 107025880
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
4-amino-N-(5-bromo-2-methoxyphenyl)-3,5-difluorobenzamide
CID 63185721
3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 64525066
N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
CID 32608747
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
5-amino-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81317431
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide
CID 115769609

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide (CID 63185657) is 4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide is COc1cc(F)ccc1NC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide?
The InChIKey is HYBIEXQBOVXSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-21-12-6-8(15)2-3-11(12)19-14(20)7-4-9(16)13(18)10(17)5-7/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide?
4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide has a molecular weight of 296.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide is sourced from PubChem (CID 63185657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).