(3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide

C15H20FNO2 — CID 97068171

IUPAC(3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide
SMILESCc1cc(CNC(=O)C[C@](C)(O)C2CC2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-10-7-11(3-6-13(10)16)9-17-14(18)8-15(2,19)12-4-5-12/h3,6-7,12,19H,4-5,8-9H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyFFUCBQUURHLGCB-HNNXBMFYSA-N
MW265.33 g/mol
LogP2.30
Rot. Bonds5

About (3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide

(3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide (PubChem CID 97068171) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide
PubChem CID97068171
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide
SMILESCc1cc(CNC(=O)C[C@](C)(O)C2CC2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-10-7-11(3-6-13(10)16)9-17-14(18)8-15(2,19)12-4-5-12/h3,6-7,12,19H,4-5,8-9H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyFFUCBQUURHLGCB-HNNXBMFYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide 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-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110024507
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55132319
2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 134046292
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoate
CID 110779721
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide
CID 115154630
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
2-cyano-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropanamide
CID 115175082
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63298312
cis-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 30609812
trans-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 30609815
1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide?
The IUPAC name of (3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide (CID 97068171) is (3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide.
What is the SMILES notation for (3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide?
The canonical SMILES for (3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide is Cc1cc(CNC(=O)C[C@](C)(O)C2CC2)ccc1F.
What is the InChIKey of (3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide?
The InChIKey is FFUCBQUURHLGCB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-7-11(3-6-13(10)16)9-17-14(18)8-15(2,19)12-4-5-12/h3,6-7,12,19H,4-5,8-9H2,1-2H3,(H,17,18)/t15-/m0/s1.
What are the key properties of (3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide?
(3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide has a molecular weight of 265.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide is sourced from PubChem (CID 97068171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).