3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide

C15H12Cl2N2O — CID 72687476

IUPAC3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide
SMILESCc1ccncc1NC(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O/c1-10-6-7-18-9-14(10)19-15(20)5-3-11-2-4-12(16)13(17)8-11/h2-9H,1H3,(H,19,20)
InChIKeyJNCRPTJUDOASKG-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.35
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide

3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide (PubChem CID 72687476) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide
PubChem CID72687476
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide
SMILESCc1ccncc1NC(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O/c1-10-6-7-18-9-14(10)19-15(20)5-3-11-2-4-12(16)13(17)8-11/h2-9H,1H3,(H,19,20)
InChIKeyJNCRPTJUDOASKG-UHFFFAOYSA-N
XLogP4.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.35
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

3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 72687429
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
CID 9141558
(E)-N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 6183154
N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4676638
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 8714064
3-(3,4-dichlorophenyl)-N-(4,6-dimethylpyridin-1-ium-2-yl)prop-2-enamide
CID 4746135
(E)-3-(3-chloro-4-fluorophenyl)-N-(5-fluoro-2-methylphenyl)prop-2-enamide
CID 9097738
(E)-3-(3,4-dichlorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368313

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide (CID 72687476) is 3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide is Cc1ccncc1NC(=O)C=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide?
The InChIKey is JNCRPTJUDOASKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-10-6-7-18-9-14(10)19-15(20)5-3-11-2-4-12(16)13(17)8-11/h2-9H,1H3,(H,19,20).
What are the key properties of 3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide?
3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide has a molecular weight of 307.18 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 72687476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).