N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide

C13H19FN2O — CID 43089124

IUPACN-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
SMILESCCC(C)NC(=O)CNc1ccc(C)cc1F
InChIInChI=1S/C13H19FN2O/c1-4-10(3)16-13(17)8-15-12-6-5-9(2)7-11(12)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyJMZJKOCPIMTDBL-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.46
Rot. Bonds5

About N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide

N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide (PubChem CID 43089124) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
PubChem CID43089124
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
SMILESCCC(C)NC(=O)CNc1ccc(C)cc1F
InChIInChI=1S/C13H19FN2O/c1-4-10(3)16-13(17)8-15-12-6-5-9(2)7-11(12)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyJMZJKOCPIMTDBL-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
CID 60688483
2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide
CID 82713327
2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60646943
N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 29457118
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
2-(5-bromo-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 102847112
N-(cyanomethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 28892313
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
N-butan-2-yl-2-[2-methyl-5-(trifluoromethyl)anilino]acetamide
CID 66476966
2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide
CID 43567846

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide (CID 43089124) is N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide is CCC(C)NC(=O)CNc1ccc(C)cc1F.
What is the InChIKey of N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide?
The InChIKey is JMZJKOCPIMTDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-10(3)16-13(17)8-15-12-6-5-9(2)7-11(12)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide?
N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide has a molecular weight of 238.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide is sourced from PubChem (CID 43089124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).