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

C14H12F2N2O2 — CID 115951237

IUPAC4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(F)c(NCc2cccc(F)c2O)c1
InChIInChI=1S/C14H12F2N2O2/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)
InChIKeyILSUSVHPHGCVBU-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.38
Rot. Bonds4

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

4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide (PubChem CID 115951237) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
PubChem CID115951237
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(F)c(NCc2cccc(F)c2O)c1
InChIInChI=1S/C14H12F2N2O2/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)
InChIKeyILSUSVHPHGCVBU-UHFFFAOYSA-N
XLogP2.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951120
4-[(3-fluoro-2-hydroxyphenyl)methylamino]-3-methylbenzamide
CID 115951248
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304
methyl 4-fluoro-3-[(2-hydroxy-3-methylphenyl)methylamino]benzoate
CID 115951164
3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide
CID 62699985
4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398
3-[(2-fluorophenyl)methylamino]-4-nitrobenzamide
CID 82991671
4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62760275
3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide
CID 114452430
4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide
CID 43783759

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
The IUPAC name of 4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide (CID 115951237) is 4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide.
What is the SMILES notation for 4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
The canonical SMILES for 4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide is NC(=O)c1ccc(F)c(NCc2cccc(F)c2O)c1.
What is the InChIKey of 4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
The InChIKey is ILSUSVHPHGCVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/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-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide has a molecular weight of 278.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide is sourced from PubChem (CID 115951237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).