(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide

C17H16Cl3NO3 — CID 1300506

IUPAC(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl3NO3/c1-9-6-14(16(23-3)8-12(9)19)21-17(22)10(2)24-15-5-4-11(18)7-13(15)20/h4-8,10H,1-3H3,(H,21,22)/t10-/m0/s1
InChIKeyJTWUZUFBJCVATC-JTQLQIEISA-N
MW388.68 g/mol
LogP5.37
Rot. Bonds5

About (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide

(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 1300506) has the molecular formula C17H16Cl3NO3 and a molecular weight of 388.68 g/mol. Its IUPAC name is (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID1300506
Molecular FormulaC17H16Cl3NO3
Molecular Weight388.68 g/mol
Exact Mass387.02
IUPAC Name(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl3NO3/c1-9-6-14(16(23-3)8-12(9)19)21-17(22)10(2)24-15-5-4-11(18)7-13(15)20/h4-8,10H,1-3H3,(H,21,22)/t10-/m0/s1
InChIKeyJTWUZUFBJCVATC-JTQLQIEISA-N
XLogP5.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2083484
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 53267001
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 7376119
2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 53266468
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate
CID 2122611
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 134019274
N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 5013709
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide (CID 1300506) is (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide is COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is JTWUZUFBJCVATC-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16Cl3NO3/c1-9-6-14(16(23-3)8-12(9)19)21-17(22)10(2)24-15-5-4-11(18)7-13(15)20/h4-8,10H,1-3H3,(H,21,22)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 388.68 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 1300506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).