(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide

C19H22ClNO2 — CID 8708990

IUPAC(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-13-11-17(20)9-10-18(13)23-15(3)19(22)21-12-14(2)16-7-5-4-6-8-16/h4-11,14-15H,12H2,1-3H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyZIRHCFJIULDGDL-HUUCEWRRSA-N
MW331.84 g/mol
LogP4.34
Rot. Bonds6

About (2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide

(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 8708990) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID8708990
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-13-11-17(20)9-10-18(13)23-15(3)19(22)21-12-14(2)16-7-5-4-6-8-16/h4-11,14-15H,12H2,1-3H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyZIRHCFJIULDGDL-HUUCEWRRSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
N-(2-amino-2-oxo-1-phenylethyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 51315223
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
CID 8604307
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 27230023
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021089
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 111441401
2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 46599023
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide (CID 8708990) is (2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide is Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@H](C)c1ccccc1.
What is the InChIKey of (2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is ZIRHCFJIULDGDL-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13-11-17(20)9-10-18(13)23-15(3)19(22)21-12-14(2)16-7-5-4-6-8-16/h4-11,14-15H,12H2,1-3H3,(H,21,22)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide?
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.34, 6 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-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 8708990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).