2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one

C14H13Cl2NO — CID 141298472

IUPAC2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one
SMILESCC(C(=O)C1=CCNC=C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-9(12-3-2-11(15)8-13(12)16)14(18)10-4-6-17-7-5-10/h2-6,8-9,17H,7H2,1H3
InChIKeyIPDBCZIYEJLYTB-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.71
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one

2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one (PubChem CID 141298472) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one
PubChem CID141298472
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one
SMILESCC(C(=O)C1=CCNC=C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-9(12-3-2-11(15)8-13(12)16)14(18)10-4-6-17-7-5-10/h2-6,8-9,17H,7H2,1H3
InChIKeyIPDBCZIYEJLYTB-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
2-(2,4-dichlorophenyl)-N-methylpropanehydrazide
CID 116845828
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096941
4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid
CID 65058438
5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
CID 62942590
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]butanoic acid
CID 65067886
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one (CID 141298472) is 2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one is CC(C(=O)C1=CCNC=C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one?
The InChIKey is IPDBCZIYEJLYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-9(12-3-2-11(15)8-13(12)16)14(18)10-4-6-17-7-5-10/h2-6,8-9,17H,7H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one?
2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one has a molecular weight of 282.17 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one is sourced from PubChem (CID 141298472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).