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

C17H18FNO2 — CID 110024305

IUPACN-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
SMILESCc1cc(F)ccc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-12-10-14(18)8-9-15(12)19-16(20)11-17(2,21)13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyBNGWPBWQJIMBAU-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.37
Rot. Bonds4

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

N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide (PubChem CID 110024305) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
PubChem CID110024305
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
SMILESCc1cc(F)ccc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-12-10-14(18)8-9-15(12)19-16(20)11-17(2,21)13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyBNGWPBWQJIMBAU-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide
CID 110024948
N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide
CID 110026067
N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024296
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
CID 110883081
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
CID 110025284
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 7980515
N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021334
5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
CID 110024808

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide (CID 110024305) is N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide is Cc1cc(F)ccc1NC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide?
The InChIKey is BNGWPBWQJIMBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-10-14(18)8-9-15(12)19-16(20)11-17(2,21)13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide?
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 287.33 g/mol, XLogP of 3.37, 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-phenylbutanamide is sourced from PubChem (CID 110024305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).