3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide

C14H11Cl2N2O+ — CID 4745023

IUPAC3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1cc[nH+]cc1
InChIInChI=1S/C14H10Cl2N2O/c15-11-3-1-10(13(16)9-11)2-4-14(19)18-12-5-7-17-8-6-12/h1-9H,(H,17,18,19)/p+1
InChIKeyQZZWNNWWTDQYSY-UHFFFAOYSA-O
MW294.16 g/mol
LogP3.46
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide

3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide (PubChem CID 4745023) has the molecular formula C14H11Cl2N2O+ and a molecular weight of 294.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
PubChem CID4745023
Molecular FormulaC14H11Cl2N2O+
Molecular Weight294.16 g/mol
Exact Mass293.02
IUPAC Name3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1cc[nH+]cc1
InChIInChI=1S/C14H10Cl2N2O/c15-11-3-1-10(13(16)9-11)2-4-14(19)18-12-5-7-17-8-6-12/h1-9H,(H,17,18,19)/p+1
InChIKeyQZZWNNWWTDQYSY-UHFFFAOYSA-O
XLogP3.46
TPSA43.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980
4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 45426606
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 5139454
3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
CID 897133
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 868727
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
(E)-3-(2,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 17070631

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide (CID 4745023) is 3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide is O=C(C=Cc1ccc(Cl)cc1Cl)Nc1cc[nH+]cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide?
The InChIKey is QZZWNNWWTDQYSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H10Cl2N2O/c15-11-3-1-10(13(16)9-11)2-4-14(19)18-12-5-7-17-8-6-12/h1-9H,(H,17,18,19)/p+1.
What are the key properties of 3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide?
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide has a molecular weight of 294.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide is sourced from PubChem (CID 4745023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).