(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide

C17H17Cl2NO2 — CID 95077681

IUPAC(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C17H17Cl2NO2/c1-10-4-6-14(8-11(10)2)22-12(3)17(21)20-13-5-7-15(18)16(19)9-13/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyIVDJGPQCPUKEJU-LBPRGKRZSA-N
MW338.23 g/mol
LogP5.02
Rot. Bonds4

About (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide

(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 95077681) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
PubChem CID95077681
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C17H17Cl2NO2/c1-10-4-6-14(8-11(10)2)22-12(3)17(21)20-13-5-7-15(18)16(19)9-13/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyIVDJGPQCPUKEJU-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

2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
ethyl 2-chloro-5-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 132656487
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266186
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
CID 53265997
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 7900423

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide (CID 95077681) is (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C.
What is the InChIKey of (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is IVDJGPQCPUKEJU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-10-4-6-14(8-11(10)2)22-12(3)17(21)20-13-5-7-15(18)16(19)9-13/h4-9,12H,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide?
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)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)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 95077681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).