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

C13H19FN2O — CID 62623240

IUPAC3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide
SMILESCc1c(F)cccc1NCCC(=O)NC(C)C
InChIInChI=1S/C13H19FN2O/c1-9(2)16-13(17)7-8-15-12-6-4-5-11(14)10(12)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyLNORXKHYBDSMLU-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.46
Rot. Bonds5

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

3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide (PubChem CID 62623240) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide
PubChem CID62623240
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide
SMILESCc1c(F)cccc1NCCC(=O)NC(C)C
InChIInChI=1S/C13H19FN2O/c1-9(2)16-13(17)7-8-15-12-6-4-5-11(14)10(12)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyLNORXKHYBDSMLU-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

3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide
CID 62814354
3-[(2,6-difluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684717
3-(4-methylanilino)-N-propan-2-ylpropanamide
CID 60644223
2-amino-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoic acid
CID 113411034
N-(3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79192494
3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623790
3-(2-amino-3,5-difluoroanilino)-N-propan-2-ylpropanamide
CID 113409518
3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623782
3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 66481346
N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54861876
2-acetamido-3-(3-fluoro-2-methylanilino)propanoic acid
CID 64583072

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide (CID 62623240) is 3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide is Cc1c(F)cccc1NCCC(=O)NC(C)C.
What is the InChIKey of 3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide?
The InChIKey is LNORXKHYBDSMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)16-13(17)7-8-15-12-6-4-5-11(14)10(12)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide?
3-(3-fluoro-2-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-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62623240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).