N-butyl-2-(4-chloro-2-methylanilino)acetamide

C13H19ClN2O — CID 108993148

IUPACN-butyl-2-(4-chloro-2-methylanilino)acetamide
SMILESCCCCNC(=O)CNc1ccc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O/c1-3-4-7-15-13(17)9-16-12-6-5-11(14)8-10(12)2/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyFEOAUFIQMAEOTB-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.98
Rot. Bonds6

About N-butyl-2-(4-chloro-2-methylanilino)acetamide

N-butyl-2-(4-chloro-2-methylanilino)acetamide (PubChem CID 108993148) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-butyl-2-(4-chloro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-chloro-2-methylanilino)acetamide
PubChem CID108993148
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-butyl-2-(4-chloro-2-methylanilino)acetamide
SMILESCCCCNC(=O)CNc1ccc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O/c1-3-4-7-15-13(17)9-16-12-6-5-11(14)8-10(12)2/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyFEOAUFIQMAEOTB-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

N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 37476152
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide
CID 109006202
N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
CID 109005960
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dimethylanilino)acetamide
CID 109006978
3-(5-chloro-2-methylanilino)-N-pentylpropanamide
CID 109032149
N-butyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815370
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-chloro-2-methylanilino)acetamide?
The IUPAC name of N-butyl-2-(4-chloro-2-methylanilino)acetamide (CID 108993148) is N-butyl-2-(4-chloro-2-methylanilino)acetamide.
What is the SMILES notation for N-butyl-2-(4-chloro-2-methylanilino)acetamide?
The canonical SMILES for N-butyl-2-(4-chloro-2-methylanilino)acetamide is CCCCNC(=O)CNc1ccc(Cl)cc1C.
What is the InChIKey of N-butyl-2-(4-chloro-2-methylanilino)acetamide?
The InChIKey is FEOAUFIQMAEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-4-7-15-13(17)9-16-12-6-5-11(14)8-10(12)2/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-2-(4-chloro-2-methylanilino)acetamide?
N-butyl-2-(4-chloro-2-methylanilino)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 N-butyl-2-(4-chloro-2-methylanilino)acetamide is sourced from PubChem (CID 108993148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).