(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide

C16H16ClNO2 — CID 7642896

IUPAC(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
SMILESCc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H16ClNO2/c1-11-8-9-14(17)15(10-11)20-12(2)16(19)18-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyRESJENJAZZHMLT-LBPRGKRZSA-N
MW289.76 g/mol
LogP4.05
Rot. Bonds4

About (2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide

(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide (PubChem CID 7642896) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
PubChem CID7642896
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
SMILESCc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H16ClNO2/c1-11-8-9-14(17)15(10-11)20-12(2)16(19)18-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyRESJENJAZZHMLT-LBPRGKRZSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
(2R)-2-(2,5-dichlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2588733
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide
CID 63325502
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
CID 55796060
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
(2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide
CID 94058730
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462
2-(2,4-dichloro-3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 15917901
2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide?
The IUPAC name of (2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide (CID 7642896) is (2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide?
The canonical SMILES for (2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide is Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccccc2)c1.
What is the InChIKey of (2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide?
The InChIKey is RESJENJAZZHMLT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-8-9-14(17)15(10-11)20-12(2)16(19)18-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide?
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide has a molecular weight of 289.76 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide is sourced from PubChem (CID 7642896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).