(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide

C17H17Cl2NO2 — CID 95077371

IUPAC(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)ccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-10-4-5-13(18)9-16(10)20-17(21)12(3)22-14-6-7-15(19)11(2)8-14/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyHZCHYNIZYQSEQL-LBPRGKRZSA-N
MW338.23 g/mol
LogP5.02
Rot. Bonds4

About (2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide

(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 95077371) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID95077371
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)ccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-10-4-5-13(18)9-16(10)20-17(21)12(3)22-14-6-7-15(19)11(2)8-14/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyHZCHYNIZYQSEQL-LBPRGKRZSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 40742791
(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 26564189
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
ethyl 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-methylbenzoate
CID 132656492
N-(5-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133162812
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide (CID 95077371) is (2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide is Cc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)ccc1Cl.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is HZCHYNIZYQSEQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-10-4-5-13(18)9-16(10)20-17(21)12(3)22-14-6-7-15(19)11(2)8-14/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide?
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 338.23 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 95077371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).