2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide

C14H21FN2O — CID 60688483

IUPAC2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1ccc(C)cc1F
InChIInChI=1S/C14H21FN2O/c1-4-5-11(3)17-14(18)9-16-13-7-6-10(2)8-12(13)15/h6-8,11,16H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyKJTXFMJABGTKCN-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.85
Rot. Bonds6

About 2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide

2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide (PubChem CID 60688483) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
PubChem CID60688483
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1ccc(C)cc1F
InChIInChI=1S/C14H21FN2O/c1-4-5-11(3)17-14(18)9-16-13-7-6-10(2)8-12(13)15/h6-8,11,16H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyKJTXFMJABGTKCN-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124
N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 29457118
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide
CID 82817932
N-(cyanomethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 28892313
2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60646943
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
CID 60688672
2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 2954459
2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide
CID 82713327
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide (CID 60688483) is 2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNc1ccc(C)cc1F.
What is the InChIKey of 2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide?
The InChIKey is KJTXFMJABGTKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-5-11(3)17-14(18)9-16-13-7-6-10(2)8-12(13)15/h6-8,11,16H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide?
2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide has a molecular weight of 252.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide is sourced from PubChem (CID 60688483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).