4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide

C14H12ClFN2O2 — CID 115951120

IUPAC4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(Cl)c(NCc2cccc(F)c2O)c1
InChIInChI=1S/C14H12ClFN2O2/c15-10-5-4-8(14(17)20)6-12(10)18-7-9-2-1-3-11(16)13(9)19/h1-6,18-19H,7H2,(H2,17,20)
InChIKeyAOMVARSNOLVQLS-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.90
Rot. Bonds4

About 4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide

4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide (PubChem CID 115951120) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
PubChem CID115951120
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(Cl)c(NCc2cccc(F)c2O)c1
InChIInChI=1S/C14H12ClFN2O2/c15-10-5-4-8(14(17)20)6-12(10)18-7-9-2-1-3-11(16)13(9)19/h1-6,18-19H,7H2,(H2,17,20)
InChIKeyAOMVARSNOLVQLS-UHFFFAOYSA-N
XLogP2.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]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-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951237
4-[(3-fluoro-2-hydroxyphenyl)methylamino]-3-methylbenzamide
CID 115951248
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
CID 79881862
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
CID 28572210
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
CID 115743478
3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide
CID 80700592

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
The IUPAC name of 4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide (CID 115951120) is 4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
The canonical SMILES for 4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide is NC(=O)c1ccc(Cl)c(NCc2cccc(F)c2O)c1.
What is the InChIKey of 4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
The InChIKey is AOMVARSNOLVQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-10-5-4-8(14(17)20)6-12(10)18-7-9-2-1-3-11(16)13(9)19/h1-6,18-19H,7H2,(H2,17,20).
What are the key properties of 4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide has a molecular weight of 294.71 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide is sourced from PubChem (CID 115951120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).