(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide

C18H20ClNO2 — CID 93234576

IUPAC(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-3-16(14-9-5-4-6-10-14)20-18(21)13(2)22-17-12-8-7-11-15(17)19/h4-13,16H,3H2,1-2H3,(H,20,21)/t13-,16-/m0/s1
InChIKeyNIJCKRUXRABDER-BBRMVZONSA-N
MW317.82 g/mol
LogP4.37
Rot. Bonds6

About (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide

(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide (PubChem CID 93234576) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
PubChem CID93234576
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-3-16(14-9-5-4-6-10-14)20-18(21)13(2)22-17-12-8-7-11-15(17)19/h4-13,16H,3H2,1-2H3,(H,20,21)/t13-,16-/m0/s1
InChIKeyNIJCKRUXRABDER-BBRMVZONSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylphenoxy)-N-[(1R)-1-phenylpropyl]propanamide
CID 93234565
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
(2S,3S)-2-[2-(2-chlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61137417
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide
CID 17328424
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide
CID 17328049
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 30394470
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid
CID 43469679

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide (CID 93234576) is (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide is CC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide?
The InChIKey is NIJCKRUXRABDER-BBRMVZONSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-16(14-9-5-4-6-10-14)20-18(21)13(2)22-17-12-8-7-11-15(17)19/h4-13,16H,3H2,1-2H3,(H,20,21)/t13-,16-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide?
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide is sourced from PubChem (CID 93234576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).