3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide

C13H19FN2O2 — CID 114262949

IUPAC3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide
SMILESCOc1cc(F)cc(NCCC(=O)NC(C)C)c1
InChIInChI=1S/C13H19FN2O2/c1-9(2)16-13(17)4-5-15-11-6-10(14)7-12(8-11)18-3/h6-9,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyHZCXOVZHUBFTHQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.16
Rot. Bonds6

About 3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide

3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide (PubChem CID 114262949) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide
PubChem CID114262949
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide
SMILESCOc1cc(F)cc(NCCC(=O)NC(C)C)c1
InChIInChI=1S/C13H19FN2O2/c1-9(2)16-13(17)4-5-15-11-6-10(14)7-12(8-11)18-3/h6-9,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyHZCXOVZHUBFTHQ-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3,5-dimethoxyanilino)propanoate
CID 12903398
3-(2-amino-3,5-difluoroanilino)-N-propan-2-ylpropanamide
CID 113409518
3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623790
3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623782
N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
CID 130500039
N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide
CID 62814354
3-(4-methylanilino)-N-propan-2-ylpropanamide
CID 60644223
3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 112700113
1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea
CID 100666210
3-(3-bromo-4-methylanilino)-N-propan-2-ylpropanamide
CID 63333816
5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide
CID 114263134
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 112695001

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide (CID 114262949) is 3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide is COc1cc(F)cc(NCCC(=O)NC(C)C)c1.
What is the InChIKey of 3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide?
The InChIKey is HZCXOVZHUBFTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)16-13(17)4-5-15-11-6-10(14)7-12(8-11)18-3/h6-9,15H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide?
3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide has a molecular weight of 254.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 114262949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).