2-chloro-N-(2,5-dimethylphenyl)propanamide

C11H14ClNO — CID 25218955

IUPAC2-chloro-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Cl)c1
InChIInChI=1S/C11H14ClNO/c1-7-4-5-8(2)10(6-7)13-11(14)9(3)12/h4-6,9H,1-3H3,(H,13,14)
InChIKeyXFJQOYYSGXWMEA-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.87
Rot. Bonds2

About 2-chloro-N-(2,5-dimethylphenyl)propanamide

2-chloro-N-(2,5-dimethylphenyl)propanamide (PubChem CID 25218955) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dimethylphenyl)propanamide
PubChem CID25218955
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Cl)c1
InChIInChI=1S/C11H14ClNO/c1-7-4-5-8(2)10(6-7)13-11(14)9(3)12/h4-6,9H,1-3H3,(H,13,14)
InChIKeyXFJQOYYSGXWMEA-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246
methyl 3-[[(2S)-2-chloropropanoyl]amino]-4-methylbenzoate
CID 93262404
(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
CID 94024925
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
CID 60934492
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734713
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 2-chloro-N-(2,5-dimethylphenyl)propanamide (CID 25218955) is 2-chloro-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)C(C)Cl)c1.
What is the InChIKey of 2-chloro-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is XFJQOYYSGXWMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-4-5-8(2)10(6-7)13-11(14)9(3)12/h4-6,9H,1-3H3,(H,13,14).
What are the key properties of 2-chloro-N-(2,5-dimethylphenyl)propanamide?
2-chloro-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 211.69 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 25218955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).