3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide

C17H18FN3O2 — CID 109041254

IUPAC3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H18FN3O2/c1-12(22)20-15-7-5-14(6-8-15)19-10-9-17(23)21-16-4-2-3-13(18)11-16/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyNGXJNDHYJXYYQM-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.22
Rot. Bonds6

About 3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide

3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide (PubChem CID 109041254) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
PubChem CID109041254
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H18FN3O2/c1-12(22)20-15-7-5-14(6-8-15)19-10-9-17(23)21-16-4-2-3-13(18)11-16/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyNGXJNDHYJXYYQM-UHFFFAOYSA-N
XLogP3.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide (CID 109041254) is 3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide is CC(=O)Nc1ccc(NCCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide?
The InChIKey is NGXJNDHYJXYYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-12(22)20-15-7-5-14(6-8-15)19-10-9-17(23)21-16-4-2-3-13(18)11-16/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide?
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide has a molecular weight of 315.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 109041254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).