N-butan-2-yl-2-(2-fluoroanilino)propanamide

C13H19FN2O — CID 43113405

IUPACN-butan-2-yl-2-(2-fluoroanilino)propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-4-9(2)15-13(17)10(3)16-12-8-6-5-7-11(12)14/h5-10,16H,4H2,1-3H3,(H,15,17)
InChIKeyIQZLGNOHGLOOPR-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.54
Rot. Bonds5

About N-butan-2-yl-2-(2-fluoroanilino)propanamide

N-butan-2-yl-2-(2-fluoroanilino)propanamide (PubChem CID 43113405) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-fluoroanilino)propanamide
PubChem CID43113405
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-butan-2-yl-2-(2-fluoroanilino)propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-4-9(2)15-13(17)10(3)16-12-8-6-5-7-11(12)14/h5-10,16H,4H2,1-3H3,(H,15,17)
InChIKeyIQZLGNOHGLOOPR-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

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Related Compounds

2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
CID 43113411
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
2-(2-fluoroanilino)-N-pentylpropanamide
CID 43113406
N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
N-butan-2-yl-2-(3,4-difluoroanilino)propanamide
CID 43116673
2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
(2R)-2-(2-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 7872612
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide
CID 107804289
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
N-butan-2-yl-2-(2-cyano-4-fluoroanilino)propanamide
CID 82015893
2-(2-fluoroanilino)butanamide
CID 60995502

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-fluoroanilino)propanamide?
The IUPAC name of N-butan-2-yl-2-(2-fluoroanilino)propanamide (CID 43113405) is N-butan-2-yl-2-(2-fluoroanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(2-fluoroanilino)propanamide?
The canonical SMILES for N-butan-2-yl-2-(2-fluoroanilino)propanamide is CCC(C)NC(=O)C(C)Nc1ccccc1F.
What is the InChIKey of N-butan-2-yl-2-(2-fluoroanilino)propanamide?
The InChIKey is IQZLGNOHGLOOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-9(2)15-13(17)10(3)16-12-8-6-5-7-11(12)14/h5-10,16H,4H2,1-3H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-(2-fluoroanilino)propanamide?
N-butan-2-yl-2-(2-fluoroanilino)propanamide 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 N-butan-2-yl-2-(2-fluoroanilino)propanamide is sourced from PubChem (CID 43113405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).