5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one

C16H13Cl3N2O2 — CID 22142428

IUPAC5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one
SMILESCN(C)/C=C(/C(=O)c1ccc(Cl)cc1Cl)n1cc(Cl)ccc1=O
InChIInChI=1S/C16H13Cl3N2O2/c1-20(2)9-14(21-8-11(18)4-6-15(21)22)16(23)12-5-3-10(17)7-13(12)19/h3-9H,1-2H3/b14-9-
InChIKeyREKOXNZOZFKKFW-ZROIWOOFSA-N
MW371.65 g/mol
LogP4.05
Rot. Bonds4

About 5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one

5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one (PubChem CID 22142428) has the molecular formula C16H13Cl3N2O2 and a molecular weight of 371.65 g/mol. Its IUPAC name is 5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one
PubChem CID22142428
Molecular FormulaC16H13Cl3N2O2
Molecular Weight371.65 g/mol
Exact Mass370.00
IUPAC Name5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one
SMILESCN(C)/C=C(/C(=O)c1ccc(Cl)cc1Cl)n1cc(Cl)ccc1=O
InChIInChI=1S/C16H13Cl3N2O2/c1-20(2)9-14(21-8-11(18)4-6-15(21)22)16(23)12-5-3-10(17)7-13(12)19/h3-9H,1-2H3/b14-9-
InChIKeyREKOXNZOZFKKFW-ZROIWOOFSA-N
XLogP4.05
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(2-oxo-1,2-dihydropyridin-4-yl)benzamide
CID 59618445
4-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3554910
2-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 4261504
1-[2-(4-chlorophenyl)-2-oxoethyl]-2(1H)-pyridinone
CID 3746696
Methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxylate
CID 1486008
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3558437
1-Butyl-3-[(2,6-dichlorophenyl)methyl]-2-methylpyridin-4(1H)-one
CID 44422576
1-Decyl-3-[(2,6-dichlorophenyl)methyl]-2-methylpyridin-4(1H)-one
CID 44422577
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-chlorobenzamide
CID 71583420
1-[2-(4-Chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 2746342
2,4-dichloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3772253
2(1H)-pyridinone, 1-(1-(4-chlorobenzoyl)ethenyl)-
CID 3007384

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one?
The IUPAC name of 5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one (CID 22142428) is 5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one?
The canonical SMILES for 5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one is CN(C)/C=C(/C(=O)c1ccc(Cl)cc1Cl)n1cc(Cl)ccc1=O.
What is the InChIKey of 5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one?
The InChIKey is REKOXNZOZFKKFW-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2/c1-20(2)9-14(21-8-11(18)4-6-15(21)22)16(23)12-5-3-10(17)7-13(12)19/h3-9H,1-2H3/b14-9-.
What are the key properties of 5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one?
5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one has a molecular weight of 371.65 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one is sourced from PubChem (CID 22142428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).