N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide

C16H16FNO2 — CID 110883081

IUPACN-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
SMILESCc1cc(F)ccc1NC(=O)CC(O)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-11-9-13(17)7-8-14(11)18-16(20)10-15(19)12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyNMUKXTLZZUHEHU-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.20
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide

N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide (PubChem CID 110883081) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
PubChem CID110883081
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
SMILESCc1cc(F)ccc1NC(=O)CC(O)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-11-9-13(17)7-8-14(11)18-16(20)10-15(19)12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyNMUKXTLZZUHEHU-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 4792587
4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 81070633
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024305
2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 31456340
N-[2-(difluoromethoxy)phenyl]-3-hydroxy-3-phenylpropanamide
CID 110883082
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide
CID 46339616
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 50875807
3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide
CID 110009743

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide (CID 110883081) is N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide is Cc1cc(F)ccc1NC(=O)CC(O)c1ccccc1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide?
The InChIKey is NMUKXTLZZUHEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-9-13(17)7-8-14(11)18-16(20)10-15(19)12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H,18,20).
What are the key properties of N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide?
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide has a molecular weight of 273.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 110883081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).