3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide

C19H16FNO2 — CID 22144972

IUPAC3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide
SMILESO=C(NC(CO)c1ccc2ccccc2c1)c1cccc(F)c1
InChIInChI=1S/C19H16FNO2/c20-17-7-3-6-16(11-17)19(23)21-18(12-22)15-9-8-13-4-1-2-5-14(13)10-15/h1-11,18,22H,12H2,(H,21,23)
InChIKeyVKAQKYMCWUWNAS-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.44
Rot. Bonds4

About 3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide

3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide (PubChem CID 22144972) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide
PubChem CID22144972
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide
SMILESO=C(NC(CO)c1ccc2ccccc2c1)c1cccc(F)c1
InChIInChI=1S/C19H16FNO2/c20-17-7-3-6-16(11-17)19(23)21-18(12-22)15-9-8-13-4-1-2-5-14(13)10-15/h1-11,18,22H,12H2,(H,21,23)
InChIKeyVKAQKYMCWUWNAS-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide 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

3-Methylphenylalanine derivative, 22a
CID 11749915
Naphthalene carboxamide, 18a
CID 11773558
3-Fluorophenylalanine derivative, 21a
CID 11441043
2,3-Difluorophenylalanine derivative, 23a
CID 44263414
N-tert-butyl-2-{4-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxybutyl}naphthalene-1-carboxamide
CID 461007
PLpro-IN-1
CID 1287748
(2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid
CID 45100499
N-benzhydryl-4-(hydroxymethyl)benzamide
CID 2451102
N-[2-[[(1S,2S)-3-[(2,4-dimethylphenyl)methylamino]-1-hydroxy-1-phenylpropan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10186010
3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide
CID 10649344
(R)-2-(2-naphthamido)-5-(3-fluorophenyl)pent-4-enoic acid
CID 46884263
trans-(1S,2S)-5,5-difluoro-N-[(1R)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenylcyclohexane-1-carboxamide
CID 145982955

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide (CID 22144972) is 3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide is O=C(NC(CO)c1ccc2ccccc2c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide?
The InChIKey is VKAQKYMCWUWNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-17-7-3-6-16(11-17)19(23)21-18(12-22)15-9-8-13-4-1-2-5-14(13)10-15/h1-11,18,22H,12H2,(H,21,23).
What are the key properties of 3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide?
3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide has a molecular weight of 309.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide is sourced from PubChem (CID 22144972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).