2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide

C15H13Cl3N2O — CID 60735316

IUPAC2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c1-9(10-3-5-12(16)6-4-10)20(2)15(21)11-7-13(17)19-14(18)8-11/h3-9H,1-2H3
InChIKeyIMPMFONRYQVMGK-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.88
Rot. Bonds3

About 2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide

2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide (PubChem CID 60735316) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
PubChem CID60735316
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC Name2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c1-9(10-3-5-12(16)6-4-10)20(2)15(21)11-7-13(17)19-14(18)8-11/h3-9H,1-2H3
InChIKeyIMPMFONRYQVMGK-UHFFFAOYSA-N
XLogP4.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 107952071
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46580574
3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 60736835
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide
CID 31827609
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
N-[1-(4-chlorophenyl)ethyl]-6-methoxy-N-methylpyridine-3-carboxamide
CID 134003966
2,6-dichloro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 115869509
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
CID 55731326
2,6-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 60794728
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
2-amino-4-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 79703626

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide (CID 60735316) is 2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide is CC(c1ccc(Cl)cc1)N(C)C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is IMPMFONRYQVMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c1-9(10-3-5-12(16)6-4-10)20(2)15(21)11-7-13(17)19-14(18)8-11/h3-9H,1-2H3.
What are the key properties of 2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 343.64 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 60735316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).