N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide

C18H20FNO2 — CID 110024507

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide
SMILESCc1cc(CNC(=O)CC(C)(O)c2ccccc2)ccc1F
InChIInChI=1S/C18H20FNO2/c1-13-10-14(8-9-16(13)19)12-20-17(21)11-18(2,22)15-6-4-3-5-7-15/h3-10,22H,11-12H2,1-2H3,(H,20,21)
InChIKeyZGLFMPDSNCCYBG-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.05
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide

N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide (PubChem CID 110024507) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide
PubChem CID110024507
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide
SMILESCc1cc(CNC(=O)CC(C)(O)c2ccccc2)ccc1F
InChIInChI=1S/C18H20FNO2/c1-13-10-14(8-9-16(13)19)12-20-17(21)11-18(2,22)15-6-4-3-5-7-15/h3-10,22H,11-12H2,1-2H3,(H,20,21)
InChIKeyZGLFMPDSNCCYBG-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide
CID 97068171
4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 110024530
2-amino-4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoic acid
CID 115181057
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide
CID 115154630
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoate
CID 110779721
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 39293355
2-cyano-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropanamide
CID 115175082
N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide
CID 110026076

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide (CID 110024507) is N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide is Cc1cc(CNC(=O)CC(C)(O)c2ccccc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is ZGLFMPDSNCCYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13-10-14(8-9-16(13)19)12-20-17(21)11-18(2,22)15-6-4-3-5-7-15/h3-10,22H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide?
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 301.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110024507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).