3-chloro-N-(2,6-dimethylphenyl)propanamide

C11H14ClNO — CID 4550832

IUPAC3-chloro-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCCl
InChIInChI=1S/C11H14ClNO/c1-8-4-3-5-9(2)11(8)13-10(14)6-7-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyVOTVVKNPQNCBKS-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.87
Rot. Bonds3

About 3-chloro-N-(2,6-dimethylphenyl)propanamide

3-chloro-N-(2,6-dimethylphenyl)propanamide (PubChem CID 4550832) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-chloro-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2,6-dimethylphenyl)propanamide
PubChem CID4550832
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-chloro-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCCl
InChIInChI=1S/C11H14ClNO/c1-8-4-3-5-9(2)11(8)13-10(14)6-7-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyVOTVVKNPQNCBKS-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-chloro-N-(2,6-dimethylphenyl)propanamide (CID 4550832) is 3-chloro-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-chloro-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is VOTVVKNPQNCBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-4-3-5-9(2)11(8)13-10(14)6-7-12/h3-5H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-(2,6-dimethylphenyl)propanamide?
3-chloro-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 211.69 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 4550832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).