(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide

C14H11FN2O — CID 39471692

IUPAC(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1ccncc1
InChIInChI=1S/C14H11FN2O/c15-12-3-1-2-11(10-12)4-5-14(18)17-13-6-8-16-9-7-13/h1-10H,(H,16,17,18)/b5-4+
InChIKeySADUYKIRCDDRQE-SNAWJCMRSA-N
MW242.25 g/mol
LogP2.87
Rot. Bonds3

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

(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 39471692) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
PubChem CID39471692
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1ccncc1
InChIInChI=1S/C14H11FN2O/c15-12-3-1-2-11(10-12)4-5-14(18)17-13-6-8-16-9-7-13/h1-10H,(H,16,17,18)/b5-4+
InChIKeySADUYKIRCDDRQE-SNAWJCMRSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.87
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

4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 2677129
3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 77042676
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2678287
2-chloro-5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzoic acid
CID 84555269
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
(E)-3-(3,4-dihydroxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 46907512
(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84554139
2-cyano-N-[3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]acetamide
CID 108922820
methyl N-[4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]-N-methylcarbamate
CID 60578498
(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123578
(E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 8533833

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide (CID 39471692) is (E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1cccc(F)c1)Nc1ccncc1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is SADUYKIRCDDRQE-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-12-3-1-2-11(10-12)4-5-14(18)17-13-6-8-16-9-7-13/h1-10H,(H,16,17,18)/b5-4+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 242.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 39471692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).