2-(2-fluoroanilino)-N-pentan-2-ylpropanamide

C14H21FN2O — CID 43113411

IUPAC2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-4-7-10(2)16-14(18)11(3)17-13-9-6-5-8-12(13)15/h5-6,8-11,17H,4,7H2,1-3H3,(H,16,18)
InChIKeyHNKZKYJZYMWDLE-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.93
Rot. Bonds6

About 2-(2-fluoroanilino)-N-pentan-2-ylpropanamide

2-(2-fluoroanilino)-N-pentan-2-ylpropanamide (PubChem CID 43113411) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
PubChem CID43113411
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-4-7-10(2)16-14(18)11(3)17-13-9-6-5-8-12(13)15/h5-6,8-11,17H,4,7H2,1-3H3,(H,16,18)
InChIKeyHNKZKYJZYMWDLE-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoroanilino)-N-pentan-2-ylpropanamide 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

N-butan-2-yl-2-(2-fluoroanilino)propanamide
CID 43113405
2-(2-fluoroanilino)-N-pentylpropanamide
CID 43113406
2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
CID 103478871
N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
(2R)-2-(2-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 7872612
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
2-(2-fluoroanilino)butanamide
CID 60995502
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(2-fluoroanilino)-N-pentan-2-ylpropanamide (CID 43113411) is 2-(2-fluoroanilino)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-N-pentan-2-ylpropanamide?
The InChIKey is HNKZKYJZYMWDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-7-10(2)16-14(18)11(3)17-13-9-6-5-8-12(13)15/h5-6,8-11,17H,4,7H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-fluoroanilino)-N-pentan-2-ylpropanamide?
2-(2-fluoroanilino)-N-pentan-2-ylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43113411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).