(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide

C18H20ClNO2 — CID 51941387

IUPAC(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
SMILESC[C@H](OCc1ccccc1)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-14(22-13-16-6-3-2-4-7-16)18(21)20-11-10-15-8-5-9-17(19)12-15/h2-9,12,14H,10-11,13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyNJZARYXKYHNQCL-AWEZNQCLSA-N
MW317.82 g/mol
LogP3.60
Rot. Bonds7

About (2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide

(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide (PubChem CID 51941387) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
PubChem CID51941387
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
SMILESC[C@H](OCc1ccccc1)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-14(22-13-16-6-3-2-4-7-16)18(21)20-11-10-15-8-5-9-17(19)12-15/h2-9,12,14H,10-11,13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyNJZARYXKYHNQCL-AWEZNQCLSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94023398
2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106
1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 55570535
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide
CID 94784903
N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 55122740
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 110416576

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide?
The IUPAC name of (2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide (CID 51941387) is (2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for (2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide?
The canonical SMILES for (2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide is C[C@H](OCc1ccccc1)C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide?
The InChIKey is NJZARYXKYHNQCL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-14(22-13-16-6-3-2-4-7-16)18(21)20-11-10-15-8-5-9-17(19)12-15/h2-9,12,14H,10-11,13H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide?
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide has a molecular weight of 317.82 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 51941387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).