2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide

C14H14FN3O — CID 54891507

IUPAC2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide
SMILESCC(Nc1cccc(F)c1)(C(N)=O)c1ccncc1
InChIInChI=1S/C14H14FN3O/c1-14(13(16)19,10-5-7-17-8-6-10)18-12-4-2-3-11(15)9-12/h2-9,18H,1H3,(H2,16,19)
InChIKeyXXFLRRYIASYWCU-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.03
Rot. Bonds4

About 2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide

2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide (PubChem CID 54891507) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide
PubChem CID54891507
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide
SMILESCC(Nc1cccc(F)c1)(C(N)=O)c1ccncc1
InChIInChI=1S/C14H14FN3O/c1-14(13(16)19,10-5-7-17-8-6-10)18-12-4-2-3-11(15)9-12/h2-9,18H,1H3,(H2,16,19)
InChIKeyXXFLRRYIASYWCU-UHFFFAOYSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate
CID 60994077
2-(3-methylanilino)-2-pyridin-3-ylpropanamide
CID 54891651
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
2-(3-bromoanilino)-2-phenylpropanamide
CID 54891412
2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide
CID 54892277
2-(3-fluoroanilino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60992748
2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide
CID 60996874
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)propanoate
CID 60993042
2-(3-methoxyanilino)-2-phenylpropanamide
CID 60990885

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide?
The IUPAC name of 2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide (CID 54891507) is 2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide is CC(Nc1cccc(F)c1)(C(N)=O)c1ccncc1.
What is the InChIKey of 2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide?
The InChIKey is XXFLRRYIASYWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-14(13(16)19,10-5-7-17-8-6-10)18-12-4-2-3-11(15)9-12/h2-9,18H,1H3,(H2,16,19).
What are the key properties of 2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide?
2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide has a molecular weight of 259.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide is sourced from PubChem (CID 54891507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).