2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide

C22H19FN2O3 — CID 87469486

IUPAC2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C(=O)NO)cc2)c1CCc1ccc(F)cc1
InChIInChI=1S/C22H19FN2O3/c23-17-11-4-14(5-12-17)6-13-19-18(2-1-3-20(19)21(24)26)15-7-9-16(10-8-15)22(27)25-28/h1-5,7-12,28H,6,13H2,(H2,24,26)(H,25,27)
InChIKeyVSCPIXRXKSCMHV-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.50
Rot. Bonds6

About 2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide

2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide (PubChem CID 87469486) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide
PubChem CID87469486
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C(=O)NO)cc2)c1CCc1ccc(F)cc1
InChIInChI=1S/C22H19FN2O3/c23-17-11-4-14(5-12-17)6-13-19-18(2-1-3-20(19)21(24)26)15-7-9-16(10-8-15)22(27)25-28/h1-5,7-12,28H,6,13H2,(H2,24,26)(H,25,27)
InChIKeyVSCPIXRXKSCMHV-UHFFFAOYSA-N
XLogP3.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.50
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

2-cyclopentyl-3-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468698
4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide
CID 148621746
4-[3-[(4-fluorobenzoyl)amino]phenyl]-N-hydroxybenzamide
CID 10308934
4-(2,3-dichlorophenyl)-N-hydroxybenzamide
CID 10192965
N'-(4-fluorobenzoyl)-2-(2-phenylethyl)benzohydrazide
CID 55333894
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
4-fluorobenzohydrazide
CID 9972
2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 134617305
3-[4-(4-fluorophenyl)phenyl]propanamide
CID 150390429
[[4-(4-fluorophenyl)benzoyl]amino]urea
CID 23433295
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate
CID 7229070

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide (CID 87469486) is 2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide is NC(=O)c1cccc(-c2ccc(C(=O)NO)cc2)c1CCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide?
The InChIKey is VSCPIXRXKSCMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-17-11-4-14(5-12-17)6-13-19-18(2-1-3-20(19)21(24)26)15-7-9-16(10-8-15)22(27)25-28/h1-5,7-12,28H,6,13H2,(H2,24,26)(H,25,27).
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide?
2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide has a molecular weight of 378.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-3-[4-(hydroxycarbamoyl)phenyl]benzamide is sourced from PubChem (CID 87469486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).