(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide

C14H10F2N2O — CID 47148193

IUPAC(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O/c15-11-4-5-13(12(16)8-11)18-14(19)6-3-10-2-1-7-17-9-10/h1-9H,(H,18,19)/b6-3+
InChIKeyFRULMFGDSHCKBG-ZZXKWVIFSA-N
MW260.24 g/mol
LogP3.01
Rot. Bonds3

About (E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide

(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 47148193) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is (E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID47148193
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O/c15-11-4-5-13(12(16)8-11)18-14(19)6-3-10-2-1-7-17-9-10/h1-9H,(H,18,19)/b6-3+
InChIKeyFRULMFGDSHCKBG-ZZXKWVIFSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 67494098
(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 97376539
3-methyl-4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid
CID 43169386
2-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 68947325
(E)-N-(2,4-difluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 9165077
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148246
N-(3-fluoro-4-methylphenyl)-4-methyl-3-(3-pyridin-3-ylprop-2-enoylamino)benzamide
CID 67494655
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
N-(2,4-difluorophenyl)prop-2-enamide
CID 23202681

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide (CID 47148193) is (E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)Nc1ccc(F)cc1F.
What is the InChIKey of (E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is FRULMFGDSHCKBG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-11-4-5-13(12(16)8-11)18-14(19)6-3-10-2-1-7-17-9-10/h1-9H,(H,18,19)/b6-3+.
What are the key properties of (E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide?
(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 260.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 47148193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).