(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide

C19H22ClNO2 — CID 99130933

IUPAC(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-18(15-7-5-13(2)6-8-15)21-19(22)14(3)23-17-11-9-16(20)10-12-17/h5-12,14,18H,4H2,1-3H3,(H,21,22)/t14-,18+/m0/s1
InChIKeyXTDCNRBECPGJOS-KBXCAEBGSA-N
MW331.84 g/mol
LogP4.68
Rot. Bonds6

About (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide

(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide (PubChem CID 99130933) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
PubChem CID99130933
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-18(15-7-5-13(2)6-8-15)21-19(22)14(3)23-17-11-9-16(20)10-12-17/h5-12,14,18H,4H2,1-3H3,(H,21,22)/t14-,18+/m0/s1
InChIKeyXTDCNRBECPGJOS-KBXCAEBGSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
2-(4-fluorophenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328401
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328406
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94843776
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
(2R)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92675499
(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide (CID 99130933) is (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide is CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
The InChIKey is XTDCNRBECPGJOS-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-4-18(15-7-5-13(2)6-8-15)21-19(22)14(3)23-17-11-9-16(20)10-12-17/h5-12,14,18H,4H2,1-3H3,(H,21,22)/t14-,18+/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.68, 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-[(1R)-1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 99130933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).