2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide

C13H19FN2O — CID 60671142

IUPAC2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-4-13(2,3)16-12(17)9-15-11-7-5-10(14)6-8-11/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyMTAZPLOUNXDYTC-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.54
Rot. Bonds5

About 2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide

2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 60671142) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID60671142
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-4-13(2,3)16-12(17)9-15-11-7-5-10(14)6-8-11/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyMTAZPLOUNXDYTC-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60672268
2-[(6-methoxy-3-pyridinyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 54956647
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 83079465
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide
CID 51727361
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide
CID 115378141
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60674268
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32915177
2-(3-butan-2-yloxyanilino)-N-(2-methylbutan-2-yl)acetamide
CID 62328408
N-tert-butyl-3-(4-fluoroanilino)propanamide
CID 109031342

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide (CID 60671142) is 2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is MTAZPLOUNXDYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-13(2,3)16-12(17)9-15-11-7-5-10(14)6-8-11/h5-8,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide?
2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 238.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60671142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).