3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide

C14H10Cl2N2O — CID 3485585

IUPAC3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1ccncc1
InChIInChI=1S/C14H10Cl2N2O/c15-12-3-1-10(9-13(12)16)2-4-14(19)18-11-5-7-17-8-6-11/h1-9H,(H,17,18,19)
InChIKeyBUMWIKDABAPVKZ-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.04
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide

3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 3485585) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
PubChem CID3485585
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1ccncc1
InChIInChI=1S/C14H10Cl2N2O/c15-12-3-1-10(9-13(12)16)2-4-14(19)18-11-5-7-17-8-6-11/h1-9H,(H,17,18,19)
InChIKeyBUMWIKDABAPVKZ-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.04
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-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 72687476
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-3-(3,4-dichlorophenyl)-N-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9219752
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 2932282
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-N,N-diethylbenzamide
CID 8503699
ethyl 4-[3-(3,4-dichlorophenyl)prop-2-enoylamino]benzoate
CID 4152115
3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 29331413

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide (CID 3485585) is 3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide is O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1ccncc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is BUMWIKDABAPVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-12-3-1-10(9-13(12)16)2-4-14(19)18-11-5-7-17-8-6-11/h1-9H,(H,17,18,19).
What are the key properties of 3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide?
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 293.15 g/mol, XLogP of 4.04, 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-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 3485585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).