(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide

C17H18FNO — CID 100920350

IUPAC(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
SMILESC[C@@H](CC(=O)N(C)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-13(14-8-10-15(18)11-9-14)12-17(20)19(2)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3/t13-/m0/s1
InChIKeyZQYGWIJSSQLOOT-ZDUSSCGKSA-N
MW271.34 g/mol
LogP3.98
Rot. Bonds4

About (3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide

(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide (PubChem CID 100920350) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
PubChem CID100920350
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
SMILESC[C@@H](CC(=O)N(C)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-13(14-8-10-15(18)11-9-14)12-17(20)19(2)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3/t13-/m0/s1
InChIKeyZQYGWIJSSQLOOT-ZDUSSCGKSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluoro-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165003
5-(4-fluoro-N-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62965611
2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid
CID 119197019
N,3-dimethyl-N-phenylpentanamide
CID 147359069
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55980382
N,3-bis(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255111
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734626
N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 95899111
2-[(4-fluorophenyl)methylamino]-N-methyl-N-phenylacetamide
CID 108997751
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55925127

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide?
The IUPAC name of (3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide (CID 100920350) is (3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide is C[C@@H](CC(=O)N(C)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide?
The InChIKey is ZQYGWIJSSQLOOT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13(14-8-10-15(18)11-9-14)12-17(20)19(2)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide?
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide has a molecular weight of 271.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 100920350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).