(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide

C15H13ClFNO — CID 896234

IUPAC(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C15H13ClFNO/c1-10(11-5-3-2-4-6-11)15(19)18-14-8-7-12(16)9-13(14)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyNDUJLVYPLXUUIJ-JTQLQIEISA-N
MW277.73 g/mol
LogP4.22
Rot. Bonds3

About (2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide

(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide (PubChem CID 896234) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is (2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
PubChem CID896234
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C15H13ClFNO/c1-10(11-5-3-2-4-6-11)15(19)18-14-8-7-12(16)9-13(14)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyNDUJLVYPLXUUIJ-JTQLQIEISA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoro-4-hydroxyphenyl)-2-phenylpropanamide
CID 104920662
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452677
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954453
(2R)-N-(2,3-dichlorophenyl)-2-phenylpropanamide
CID 97038158
(2R)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009986
(2S)-N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 9255789
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide
CID 106834835
(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794
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CID 98001096

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide?
The IUPAC name of (2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide (CID 896234) is (2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide?
The canonical SMILES for (2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide is C[C@H](C(=O)Nc1ccc(Cl)cc1F)c1ccccc1.
What is the InChIKey of (2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide?
The InChIKey is NDUJLVYPLXUUIJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10(11-5-3-2-4-6-11)15(19)18-14-8-7-12(16)9-13(14)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide?
(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide has a molecular weight of 277.73 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide is sourced from PubChem (CID 896234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).