2-chloro-3-(2-chloro-5-methylphenyl)propanamide

C10H11Cl2NO — CID 107627819

IUPAC2-chloro-3-(2-chloro-5-methylphenyl)propanamide
SMILESCc1ccc(Cl)c(CC(Cl)C(N)=O)c1
InChIInChI=1S/C10H11Cl2NO/c1-6-2-3-8(11)7(4-6)5-9(12)10(13)14/h2-4,9H,5H2,1H3,(H2,13,14)
InChIKeyQVZRVYAUPNXZFD-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.28
Rot. Bonds3

About 2-chloro-3-(2-chloro-5-methylphenyl)propanamide

2-chloro-3-(2-chloro-5-methylphenyl)propanamide (PubChem CID 107627819) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-chloro-3-(2-chloro-5-methylphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-3-(2-chloro-5-methylphenyl)propanamide
PubChem CID107627819
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-chloro-3-(2-chloro-5-methylphenyl)propanamide
SMILESCc1ccc(Cl)c(CC(Cl)C(N)=O)c1
InChIInChI=1S/C10H11Cl2NO/c1-6-2-3-8(11)7(4-6)5-9(12)10(13)14/h2-4,9H,5H2,1H3,(H2,13,14)
InChIKeyQVZRVYAUPNXZFD-UHFFFAOYSA-N
XLogP2.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.28
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

(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid
CID 130839032
2-chloro-3-(3-chloro-2-methylphenyl)propanamide
CID 82054509
2-chloro-3-(2,4-dichlorophenyl)propanamide
CID 82054649
1-(2-chloro-5-methylphenyl)propan-2-one
CID 58483794
2-bromo-3-(2-chloro-4-methylphenyl)propanamide
CID 104512971
2-bromo-3-(2-chloro-5-methylphenyl)-1-cyclopropylpropan-1-one
CID 107627439
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate
CID 123825546
ethyl 2-chloro-3-(5-methyl-2-nitrophenyl)propanoate
CID 112557914
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
2-amino-1-(2-chloro-5-methylphenyl)ethanone
CID 83696787
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
CID 106866425

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-chloro-5-methylphenyl)propanamide?
The IUPAC name of 2-chloro-3-(2-chloro-5-methylphenyl)propanamide (CID 107627819) is 2-chloro-3-(2-chloro-5-methylphenyl)propanamide.
What is the SMILES notation for 2-chloro-3-(2-chloro-5-methylphenyl)propanamide?
The canonical SMILES for 2-chloro-3-(2-chloro-5-methylphenyl)propanamide is Cc1ccc(Cl)c(CC(Cl)C(N)=O)c1.
What is the InChIKey of 2-chloro-3-(2-chloro-5-methylphenyl)propanamide?
The InChIKey is QVZRVYAUPNXZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-6-2-3-8(11)7(4-6)5-9(12)10(13)14/h2-4,9H,5H2,1H3,(H2,13,14).
What are the key properties of 2-chloro-3-(2-chloro-5-methylphenyl)propanamide?
2-chloro-3-(2-chloro-5-methylphenyl)propanamide has a molecular weight of 232.11 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-chloro-5-methylphenyl)propanamide is sourced from PubChem (CID 107627819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).