2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide

C17H17FN2O3 — CID 53374350

IUPAC2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)c2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C17H17FN2O3/c1-10-3-8-15(18)14(9-10)17(22)19-11(2)12-4-6-13(7-5-12)16(21)20-23/h3-9,11,23H,1-2H3,(H,19,22)(H,20,21)
InChIKeyAAJJAJAMCFLDIO-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.74
Rot. Bonds4

About 2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide

2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide (PubChem CID 53374350) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
PubChem CID53374350
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)c2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C17H17FN2O3/c1-10-3-8-15(18)14(9-10)17(22)19-11(2)12-4-6-13(7-5-12)16(21)20-23/h3-9,11,23H,1-2H3,(H,19,22)(H,20,21)
InChIKeyAAJJAJAMCFLDIO-UHFFFAOYSA-N
XLogP2.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.74
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'}

Analyze 2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 62512005
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62513333
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide
CID 167771405
7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 90876175
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 62513143
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
CID 61118117

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide (CID 53374350) is 2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC(C)c2ccc(C(=O)NO)cc2)c1.
What is the InChIKey of 2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide?
The InChIKey is AAJJAJAMCFLDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-10-3-8-15(18)14(9-10)17(22)19-11(2)12-4-6-13(7-5-12)16(21)20-23/h3-9,11,23H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide?
2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide has a molecular weight of 316.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide is sourced from PubChem (CID 53374350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).