(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide

C16H16ClNO2 — CID 723976

IUPAC(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-11-10-13(17)8-9-15(11)20-12(2)16(19)18-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyQPWNBJYOBTUXBH-GFCCVEGCSA-N
MW289.76 g/mol
LogP4.05
Rot. Bonds4

About (2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide

(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide (PubChem CID 723976) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
PubChem CID723976
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-11-10-13(17)8-9-15(11)20-12(2)16(19)18-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyQPWNBJYOBTUXBH-GFCCVEGCSA-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

(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899
N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 43079181
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
methyl 4-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzoate
CID 723990
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3277013
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
ethyl 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoate
CID 2788090

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide?
The IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide (CID 723976) is (2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide is Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide?
The InChIKey is QPWNBJYOBTUXBH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-10-13(17)8-9-15(11)20-12(2)16(19)18-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide?
(2R)-2-(4-chloro-2-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 (2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide is sourced from PubChem (CID 723976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).