(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide

C16H15ClFNO — CID 7774548

IUPAC(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
SMILESC[C@@H](CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C16H15ClFNO/c1-11(12-5-3-2-4-6-12)9-16(20)19-15-8-7-13(17)10-14(15)18/h2-8,10-11H,9H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyKFVGOSVYSGPXJE-NSHDSACASA-N
MW291.75 g/mol
LogP4.61
Rot. Bonds4

About (3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide

(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide (PubChem CID 7774548) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is (3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
PubChem CID7774548
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
SMILESC[C@@H](CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C16H15ClFNO/c1-11(12-5-3-2-4-6-12)9-16(20)19-15-8-7-13(17)10-14(15)18/h2-8,10-11H,9H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyKFVGOSVYSGPXJE-NSHDSACASA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
CID 798501
(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
CID 896234
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965
(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
CID 1122017
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552
(2S)-2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83193996
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9336001
N-(4-chloro-2-fluorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336002
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium
CID 2455215

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide?
The IUPAC name of (3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide (CID 7774548) is (3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide?
The canonical SMILES for (3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide is C[C@@H](CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1.
What is the InChIKey of (3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide?
The InChIKey is KFVGOSVYSGPXJE-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11(12-5-3-2-4-6-12)9-16(20)19-15-8-7-13(17)10-14(15)18/h2-8,10-11H,9H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide?
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide has a molecular weight of 291.75 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide is sourced from PubChem (CID 7774548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).