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

C13H19FN2O — CID 60672489

IUPACN-butyl-2-(4-fluoro-2-methylanilino)acetamide
SMILESCCCCNC(=O)CNc1ccc(F)cc1C
InChIInChI=1S/C13H19FN2O/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)
InChIKeyPDCUMYHMZRGNLZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.46
Rot. Bonds6

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

N-butyl-2-(4-fluoro-2-methylanilino)acetamide (PubChem CID 60672489) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-butyl-2-(4-fluoro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-fluoro-2-methylanilino)acetamide
PubChem CID60672489
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-butyl-2-(4-fluoro-2-methylanilino)acetamide
SMILESCCCCNC(=O)CNc1ccc(F)cc1C
InChIInChI=1S/C13H19FN2O/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)
InChIKeyPDCUMYHMZRGNLZ-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.46
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-chloro-2-methylanilino)acetamide
CID 108993148
N-butyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815370
N-butyl-2-(2,3,5-trifluoroanilino)acetamide
CID 55118024
2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26528428
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
1-butyl-3-(4-fluoro-2-methylphenyl)thiourea
CID 19679933
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 37476152
2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000586
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-butyl-2-(2,6-dimethylanilino)acetamide
CID 54818393

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-fluoro-2-methylanilino)acetamide?
The IUPAC name of N-butyl-2-(4-fluoro-2-methylanilino)acetamide (CID 60672489) is N-butyl-2-(4-fluoro-2-methylanilino)acetamide.
What is the SMILES notation for N-butyl-2-(4-fluoro-2-methylanilino)acetamide?
The canonical SMILES for N-butyl-2-(4-fluoro-2-methylanilino)acetamide is CCCCNC(=O)CNc1ccc(F)cc1C.
What is the InChIKey of N-butyl-2-(4-fluoro-2-methylanilino)acetamide?
The InChIKey is PDCUMYHMZRGNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/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-fluoro-2-methylanilino)acetamide?
N-butyl-2-(4-fluoro-2-methylanilino)acetamide has a molecular weight of 238.31 g/mol, XLogP of 2.46, 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-fluoro-2-methylanilino)acetamide is sourced from PubChem (CID 60672489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).