4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide

C14H13FN2O2 — CID 170564867

IUPAC4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNc2ccccc2F)cc1
InChIInChI=1S/C14H13FN2O2/c15-12-3-1-2-4-13(12)16-9-10-5-7-11(8-6-10)14(18)17-19/h1-8,16,19H,9H2,(H,17,18)
InChIKeyCRTOPVORHVRRAC-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.56
Rot. Bonds4

About 4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide

4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide (PubChem CID 170564867) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide
PubChem CID170564867
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNc2ccccc2F)cc1
InChIInChI=1S/C14H13FN2O2/c15-12-3-1-2-4-13(12)16-9-10-5-7-11(8-6-10)14(18)17-19/h1-8,16,19H,9H2,(H,17,18)
InChIKeyCRTOPVORHVRRAC-UHFFFAOYSA-N
XLogP2.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.56
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

4-[(2-fluoroanilino)methyl]-N-methylbenzamide
CID 54888541
2-fluoro-N-[(4-iodophenyl)methyl]aniline
CID 65477560
2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid
CID 106699613
4-(benzylamino)-3-fluorobenzoic acid
CID 62711973
4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide
CID 167114634
methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate
CID 134537275
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
N-hydroxy-4-[(3-methylanilino)methyl]benzamide
CID 170564878
4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 58417486
N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
CID 142755257
4-[(2-cyano-3-fluoroanilino)methyl]benzamide
CID 43399540
1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049753

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide (CID 170564867) is 4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CNc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide?
The InChIKey is CRTOPVORHVRRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-12-3-1-2-4-13(12)16-9-10-5-7-11(8-6-10)14(18)17-19/h1-8,16,19H,9H2,(H,17,18).
What are the key properties of 4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide?
4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide has a molecular weight of 260.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 170564867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).