(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide

C16H14Cl3NO2 — CID 1371714

IUPAC(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-9-7-11(17)4-6-15(9)22-10(2)16(21)20-14-8-12(18)3-5-13(14)19/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyMQHLULYDHWQLKD-JTQLQIEISA-N
MW358.65 g/mol
LogP5.36
Rot. Bonds4

About (2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide

(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide (PubChem CID 1371714) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is (2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
PubChem CID1371714
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-9-7-11(17)4-6-15(9)22-10(2)16(21)20-14-8-12(18)3-5-13(14)19/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyMQHLULYDHWQLKD-JTQLQIEISA-N
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944864
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
dimethyl 5-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzene-1,3-dicarboxylate
CID 2862436
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide (CID 1371714) is (2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide is Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is MQHLULYDHWQLKD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c1-9-7-11(17)4-6-15(9)22-10(2)16(21)20-14-8-12(18)3-5-13(14)19/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide?
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 358.65 g/mol, XLogP of 5.36, 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-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 1371714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).