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

C14H10ClFN2O — CID 898451

IUPAC3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(C=Cc1c(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)
InChIKeyNBHFWMITXRYMCK-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.53
Rot. Bonds3

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

3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 898451) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
PubChem CID898451
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(C=Cc1c(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)
InChIKeyNBHFWMITXRYMCK-UHFFFAOYSA-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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Related Compounds

(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107
(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 6105621
(E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6165611
(E)-N-(3-acetylphenyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 896275
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 6031428
(E)-3-(2-chloro-6-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 6282671
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 6261465
(E)-N-(4-butan-2-ylphenyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 6282453
(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 27666802
(E)-3-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 6176689
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 5211022
3-(2-chloro-6-fluorophenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 897930

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide (CID 898451) is 3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide is O=C(C=Cc1c(F)cccc1Cl)Nc1ccncc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is NBHFWMITXRYMCK-UHFFFAOYSA-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).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide?
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 3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 898451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).