N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide

C21H17FN2O3 — CID 87468494

IUPACN-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
SMILESO=C(NO)c1ccc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H17FN2O3/c22-19-3-1-2-14(12-19)13-23-20(25)17-8-4-15(5-9-17)16-6-10-18(11-7-16)21(26)24-27/h1-12,27H,13H2,(H,23,25)(H,24,26)
InChIKeyHXUMYAFPUQRDMP-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.54
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide (PubChem CID 87468494) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
PubChem CID87468494
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC NameN-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
SMILESO=C(NO)c1ccc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H17FN2O3/c22-19-3-1-2-14(12-19)13-23-20(25)17-8-4-15(5-9-17)16-6-10-18(11-7-16)21(26)24-27/h1-12,27H,13H2,(H,23,25)(H,24,26)
InChIKeyHXUMYAFPUQRDMP-UHFFFAOYSA-N
XLogP3.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.54
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

N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092
4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 59811458
N-[(3-fluorophenyl)methyl]-5-(4-hydroxyphenyl)pyridine-3-carboxamide;methane
CID 159549428
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
N-[(3-fluorophenyl)methyl]-4-[(E)-pent-1-enyl]benzamide
CID 59811460
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
N-[(3-aminophenyl)methyl]-4-fluorobenzamide
CID 55083550

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide (CID 87468494) is N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide is O=C(NO)c1ccc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide?
The InChIKey is HXUMYAFPUQRDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c22-19-3-1-2-14(12-19)13-23-20(25)17-8-4-15(5-9-17)16-6-10-18(11-7-16)21(26)24-27/h1-12,27H,13H2,(H,23,25)(H,24,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide?
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide has a molecular weight of 364.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide is sourced from PubChem (CID 87468494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).