(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide

C10H11Cl2NO — CID 28881797

IUPAC(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-6-3-4-9(8(12)5-6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyIRMCANJRUCPJSF-ZETCQYMHSA-N
MW232.11 g/mol
LogP3.21
Rot. Bonds2

About (2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide

(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide (PubChem CID 28881797) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is (2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
PubChem CID28881797
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-6-3-4-9(8(12)5-6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyIRMCANJRUCPJSF-ZETCQYMHSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
CID 43146433
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
CID 62670664
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
N-(2-chloro-4-methylphenyl)-2-methylpentanamide
CID 67710308
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
CID 60934492
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide?
The IUPAC name of (2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide (CID 28881797) is (2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide?
The InChIKey is IRMCANJRUCPJSF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-6-3-4-9(8(12)5-6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide?
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide has a molecular weight of 232.11 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 28881797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).