(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide

C17H17Cl2NO2 — CID 909534

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H17Cl2NO2/c1-10-4-6-14(8-11(10)2)20-17(21)12(3)22-16-7-5-13(18)9-15(16)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyJUVSKEQTVCGJJA-LBPRGKRZSA-N
MW338.23 g/mol
LogP5.02
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide (PubChem CID 909534) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
PubChem CID909534
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H17Cl2NO2/c1-10-4-6-14(8-11(10)2)20-17(21)12(3)22-16-7-5-13(18)9-15(16)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyJUVSKEQTVCGJJA-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-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867630
(2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867631
2-(2,4-dichlorophenoxy)-N-[(3,4-dimethylphenyl)carbamothioyl]propanamide
CID 5181953
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide (CID 909534) is (2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is JUVSKEQTVCGJJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-10-4-6-14(8-11(10)2)20-17(21)12(3)22-16-7-5-13(18)9-15(16)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)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-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 909534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).