(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide

C16H16ClNO — CID 793554

IUPAC(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
SMILESC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12(11-13-5-3-2-4-6-13)16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWFJGDURQZXOWPK-LBPRGKRZSA-N
MW273.76 g/mol
LogP4.16
Rot. Bonds4

About (2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide

(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide (PubChem CID 793554) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
PubChem CID793554
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
SMILESC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12(11-13-5-3-2-4-6-13)16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWFJGDURQZXOWPK-LBPRGKRZSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
methyl 4-[[(2R)-2-methyl-3-phenylpropanoyl]amino]benzoate
CID 160724491
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965
tert-butyl N-[(2S)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 22876187
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide
CID 110406324
2-[(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 5108228
5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide
CID 46863371
(2R)-N-(4-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537449
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 41374475
(2R)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540829
benzyl (2R)-3-(4-chloroanilino)-3-oxo-2-phenylpropanoate
CID 6975658
(2S)-2-amino-N-[(2S)-1-anilino-1-oxopropan-2-yl]-3-(4-chlorophenyl)propanamide;dihydrochloride
CID 70254310

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide (CID 793554) is (2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide is C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide?
The InChIKey is WFJGDURQZXOWPK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(11-13-5-3-2-4-6-13)16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide?
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide has a molecular weight of 273.76 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 793554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).