2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide

C13H19ClN2O — CID 22379

💊View drug profile → butanilicaine
IUPAC2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide
SMILESCCCCNCC(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyVWYQKFLLGRBICZ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.98
Rot. Bonds6

About 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide

2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide (PubChem CID 22379) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide
PubChem CID22379
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide
SMILESCCCCNCC(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyVWYQKFLLGRBICZ-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Monoethylglycinexylidide
CID 24415
Prilocaine Hydrochloride
CID 92163
8-chloroquinolin-2(1H)-one
CID 4204917
2-Chloro-6-methylphenylformamide
CID 244436
N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 6493742
N-(2,4-Dichloro-6-methylphenyl)acetamide
CID 297912
o-Propionotoluidide, 6'-chloro-2-(diethylamino)-, hydrochloride
CID 3060534
4-Chloro-2-methylacetanilide
CID 78877
N-(3-chloro-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 237729
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4969408
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6466542
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
CID 1255941

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide?
The IUPAC name of 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide (CID 22379) is 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide?
The canonical SMILES for 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide is CCCCNCC(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide?
The InChIKey is VWYQKFLLGRBICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide?
2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide is sourced from PubChem (CID 22379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).