2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide

C17H19Cl2FN2O — CID 147654966

IUPAC2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1cc(C)c(F)cc1Cl)C1=C(C)CNC(Cl)=C1
InChIInChI=1S/C17H19Cl2FN2O/c1-4-22(15-8-16(19)21-9-11(15)3)17(23)6-12-5-10(2)14(20)7-13(12)18/h5,7-8,21H,4,6,9H2,1-3H3
InChIKeyGKFQUBFLYUDRTP-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.14
Rot. Bonds4

About 2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide

2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide (PubChem CID 147654966) has the molecular formula C17H19Cl2FN2O and a molecular weight of 357.26 g/mol. Its IUPAC name is 2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide
PubChem CID147654966
Molecular FormulaC17H19Cl2FN2O
Molecular Weight357.26 g/mol
Exact Mass356.09
IUPAC Name2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1cc(C)c(F)cc1Cl)C1=C(C)CNC(Cl)=C1
InChIInChI=1S/C17H19Cl2FN2O/c1-4-22(15-8-16(19)21-9-11(15)3)17(23)6-12-5-10(2)14(20)7-13(12)18/h5,7-8,21H,4,6,9H2,1-3H3
InChIKeyGKFQUBFLYUDRTP-UHFFFAOYSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide?
The IUPAC name of 2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide (CID 147654966) is 2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide is CCN(C(=O)Cc1cc(C)c(F)cc1Cl)C1=C(C)CNC(Cl)=C1.
What is the InChIKey of 2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide?
The InChIKey is GKFQUBFLYUDRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2FN2O/c1-4-22(15-8-16(19)21-9-11(15)3)17(23)6-12-5-10(2)14(20)7-13(12)18/h5,7-8,21H,4,6,9H2,1-3H3.
What are the key properties of 2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide?
2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide has a molecular weight of 357.26 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluoro-5-methylphenyl)-N-(6-chloro-3-methyl-1,2-dihydropyridin-4-yl)-N-ethylacetamide is sourced from PubChem (CID 147654966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).