(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide

C18H20ClNO2 — CID 92646921

IUPAC(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C18H20ClNO2/c1-4-14-8-5-6-11-17(14)22-13(3)18(21)20-16-10-7-9-15(19)12(16)2/h5-11,13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyKHHMKLPSQFTYMH-ZDUSSCGKSA-N
MW317.82 g/mol
LogP4.62
Rot. Bonds5

About (2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide

(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide (PubChem CID 92646921) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
PubChem CID92646921
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C18H20ClNO2/c1-4-14-8-5-6-11-17(14)22-13(3)18(21)20-16-10-7-9-15(19)12(16)2/h5-11,13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyKHHMKLPSQFTYMH-ZDUSSCGKSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680538
(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 92685232
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate
CID 92685092
N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761291
2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119440809
N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
CID 15917903
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide (CID 92646921) is (2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of (2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide?
The InChIKey is KHHMKLPSQFTYMH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-14-8-5-6-11-17(14)22-13(3)18(21)20-16-10-7-9-15(19)12(16)2/h5-11,13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide?
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 92646921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).