3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide

C16H17FN2O2 — CID 109039637

IUPAC3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-5-13(6-8-15)19-16(20)9-10-18-14-4-2-3-12(17)11-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyKLVQJBGTJZYNCX-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.28
Rot. Bonds6

About 3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide

3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 109039637) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID109039637
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-5-13(6-8-15)19-16(20)9-10-18-14-4-2-3-12(17)11-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyKLVQJBGTJZYNCX-UHFFFAOYSA-N
XLogP3.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031072
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
N-(3-fluorophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192589
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039563
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide (CID 109039637) is 3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2cccc(F)c2)cc1.
What is the InChIKey of 3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is KLVQJBGTJZYNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-15-7-5-13(6-8-15)19-16(20)9-10-18-14-4-2-3-12(17)11-14/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide?
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 288.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 109039637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).