(E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide

C14H10ClFN2O — CID 898452

IUPAC(E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1Cl)Nc1ccncc1
InChIInChI=1S/C14H10ClFN2O/c15-12-2-1-3-13(16)11(12)4-5-14(19)18-10-6-8-17-9-7-10/h1-9H,(H,17,18,19)/b5-4+
InChIKeyNBHFWMITXRYMCK-SNAWJCMRSA-N
MW276.70 g/mol
LogP3.53
Rot. Bonds3

About (E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide

(E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 898452) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is (E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
PubChem CID898452
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name(E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1Cl)Nc1ccncc1
InChIInChI=1S/C14H10ClFN2O/c15-12-2-1-3-13(16)11(12)4-5-14(19)18-10-6-8-17-9-7-10/h1-9H,(H,17,18,19)/b5-4+
InChIKeyNBHFWMITXRYMCK-SNAWJCMRSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide (CID 898452) is (E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1c(F)cccc1Cl)Nc1ccncc1.
What is the InChIKey of (E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is NBHFWMITXRYMCK-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c15-12-2-1-3-13(16)11(12)4-5-14(19)18-10-6-8-17-9-7-10/h1-9H,(H,17,18,19)/b5-4+.
What are the key properties of (E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
(E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 276.70 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 898452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).