3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide

C13H19FN2O — CID 62623781

IUPAC3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
SMILESCc1ccc(NCCC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)16-13(17)6-7-15-12-5-4-10(3)8-11(12)14/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyUBBRPMPQLCAANG-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.46
Rot. Bonds5

About 3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide

3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide (PubChem CID 62623781) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
PubChem CID62623781
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
SMILESCc1ccc(NCCC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)16-13(17)6-7-15-12-5-4-10(3)8-11(12)14/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyUBBRPMPQLCAANG-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

N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide
CID 62814354
3-(4-methylanilino)-N-propan-2-ylpropanamide
CID 60644223
2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 112696705
3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide
CID 62623240
2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
CID 60688483
3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623790
3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623782
N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049449
2-fluoro-4-methyl-N-(3-methylbutyl)aniline
CID 28877553
3-(2-amino-3,5-difluoroanilino)-N-propan-2-ylpropanamide
CID 113409518
3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 66481346

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide (CID 62623781) is 3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide is Cc1ccc(NCCC(=O)NC(C)C)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide?
The InChIKey is UBBRPMPQLCAANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)16-13(17)6-7-15-12-5-4-10(3)8-11(12)14/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide?
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide 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 3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62623781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).