(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide

C23H22ClNO3 — CID 9172968

IUPAC(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1
InChIInChI=1S/C23H22ClNO3/c1-15-9-11-21(16(2)13-15)27-17(3)23(26)25-20-14-18(24)10-12-22(20)28-19-7-5-4-6-8-19/h4-14,17H,1-3H3,(H,25,26)/t17-/m0/s1
InChIKeyFUSHEIFLSJFBIV-KRWDZBQOSA-N
MW395.89 g/mol
LogP6.16
Rot. Bonds6

About (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide

(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide (PubChem CID 9172968) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide
PubChem CID9172968
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC Name(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1
InChIInChI=1S/C23H22ClNO3/c1-15-9-11-21(16(2)13-15)27-17(3)23(26)25-20-14-18(24)10-12-22(20)28-19-7-5-4-6-8-19/h4-14,17H,1-3H3,(H,25,26)/t17-/m0/s1
InChIKeyFUSHEIFLSJFBIV-KRWDZBQOSA-N
XLogP6.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 92685331
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 28569618
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
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
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 16781926
(2R)-2-(2-methylphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 30392256
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide (CID 9172968) is (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1.
What is the InChIKey of (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide?
The InChIKey is FUSHEIFLSJFBIV-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22ClNO3/c1-15-9-11-21(16(2)13-15)27-17(3)23(26)25-20-14-18(24)10-12-22(20)28-19-7-5-4-6-8-19/h4-14,17H,1-3H3,(H,25,26)/t17-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide?
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide has a molecular weight of 395.89 g/mol, XLogP of 6.16, 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-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 9172968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).