3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide

C14H11FN2O3 — CID 90480202

IUPAC3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
SMILESO=C(NO)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C14H11FN2O3/c15-11-3-1-2-10(8-11)13(18)16-12-6-4-9(5-7-12)14(19)17-20/h1-8,20H,(H,16,18)(H,17,19)
InChIKeyBDPZGKWNGAAUFL-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.20
Rot. Bonds3

About 3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide

3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide (PubChem CID 90480202) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
PubChem CID90480202
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
SMILESO=C(NO)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C14H11FN2O3/c15-11-3-1-2-10(8-11)13(18)16-12-6-4-9(5-7-12)14(19)17-20/h1-8,20H,(H,16,18)(H,17,19)
InChIKeyBDPZGKWNGAAUFL-UHFFFAOYSA-N
XLogP2.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-hydroxybenzamide
CID 5082377
propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
CID 2664505
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980338

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide (CID 90480202) is 3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide is O=C(NO)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide?
The InChIKey is BDPZGKWNGAAUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-11-3-1-2-10(8-11)13(18)16-12-6-4-9(5-7-12)14(19)17-20/h1-8,20H,(H,16,18)(H,17,19).
What are the key properties of 3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide?
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide has a molecular weight of 274.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide is sourced from PubChem (CID 90480202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).