3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

C15H12ClFN2O — CID 897026

IUPAC3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C15H12ClFN2O/c1-10-4-2-7-14(18-10)19-15(20)9-8-11-12(16)5-3-6-13(11)17/h2-9H,1H3,(H,18,19,20)
InChIKeyZRGFCQPZBHDATP-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.83
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 897026) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
PubChem CID897026
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C15H12ClFN2O/c1-10-4-2-7-14(18-10)19-15(20)9-8-11-12(16)5-3-6-13(11)17/h2-9H,1H3,(H,18,19,20)
InChIKeyZRGFCQPZBHDATP-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.83
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

2-(2-chloro-6-fluorophenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 841917
N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
3-chloro-N-(6-methylpyridin-2-yl)benzamide
CID 835261
1-(4-Chlorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 836687
2-chloro-4,5-difluoro-N-(5-methylpyridin-2-yl)benzamide
CID 878799
(E)-N-(5-chloropyridin-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 2190627
(E)-2-cyano-3-(4-fluorophenyl)-N-(6-methylpyridin-2-yl)acrylamide
CID 5548030
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 24686910
(E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
CID 885148
N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide
CID 118126600
4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420204
4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420206

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (CID 897026) is 3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide is Cc1cccc(NC(=O)C=Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is ZRGFCQPZBHDATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-10-4-2-7-14(18-10)19-15(20)9-8-11-12(16)5-3-6-13(11)17/h2-9H,1H3,(H,18,19,20).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 290.73 g/mol, XLogP of 3.83, 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-(6-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 897026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).