(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide

C23H22ClNO2 — CID 28580247

IUPAC(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H22ClNO2/c1-16-8-10-19(11-9-16)22(18-6-4-3-5-7-18)25-23(26)17(2)27-21-14-12-20(24)13-15-21/h3-15,17,22H,1-2H3,(H,25,26)/t17-,22+/m0/s1
InChIKeyWCRQXBXMSTUVDQ-HTAPYJJXSA-N
MW379.89 g/mol
LogP5.32
Rot. Bonds6

About (2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide

(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide (PubChem CID 28580247) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
PubChem CID28580247
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H22ClNO2/c1-16-8-10-19(11-9-16)22(18-6-4-3-5-7-18)25-23(26)17(2)27-21-14-12-20(24)13-15-21/h3-15,17,22H,1-2H3,(H,25,26)/t17-,22+/m0/s1
InChIKeyWCRQXBXMSTUVDQ-HTAPYJJXSA-N
XLogP5.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
(2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572482
N-benzhydryl-2-(4-phenylphenoxy)propanamide
CID 19191531
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
(2R)-2-(3-methoxyphenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28569116
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932
(2R)-2-(2-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 30382529
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide (CID 28580247) is (2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide is Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide?
The InChIKey is WCRQXBXMSTUVDQ-HTAPYJJXSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-16-8-10-19(11-9-16)22(18-6-4-3-5-7-18)25-23(26)17(2)27-21-14-12-20(24)13-15-21/h3-15,17,22H,1-2H3,(H,25,26)/t17-,22+/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide has a molecular weight of 379.89 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 28580247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).