(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide

C22H20ClNO3 — CID 92685331

IUPAC(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C22H20ClNO3/c1-15-8-6-7-11-20(15)26-16(2)22(25)24-19-14-17(23)12-13-21(19)27-18-9-4-3-5-10-18/h3-14,16H,1-2H3,(H,24,25)/t16-/m0/s1
InChIKeyATJSBOTWLJCFAS-INIZCTEOSA-N
MW381.86 g/mol
LogP5.85
Rot. Bonds6

About (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide

(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide (PubChem CID 92685331) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide
PubChem CID92685331
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C22H20ClNO3/c1-15-8-6-7-11-20(15)26-16(2)22(25)24-19-14-17(23)12-13-21(19)27-18-9-4-3-5-10-18/h3-14,16H,1-2H3,(H,24,25)/t16-/m0/s1
InChIKeyATJSBOTWLJCFAS-INIZCTEOSA-N
XLogP5.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9172968
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 28569618
(2R)-2-(2-methylphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 30392256
N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016
(2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837798
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide (CID 92685331) is (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide is Cc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide?
The InChIKey is ATJSBOTWLJCFAS-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-15-8-6-7-11-20(15)26-16(2)22(25)24-19-14-17(23)12-13-21(19)27-18-9-4-3-5-10-18/h3-14,16H,1-2H3,(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide?
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide has a molecular weight of 381.86 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 92685331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).