3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide

C15H14Cl2N2O2 — CID 66482556

IUPAC3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccncc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-19(15(20)13-6-7-18-10-14(13)17)8-9-21-12-4-2-11(16)3-5-12/h2-7,10H,8-9H2,1H3
InChIKeyNGYZXIUCPKZUQB-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.54
Rot. Bonds5

About 3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide

3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide (PubChem CID 66482556) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
PubChem CID66482556
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccncc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-19(15(20)13-6-7-18-10-14(13)17)8-9-21-12-4-2-11(16)3-5-12/h2-7,10H,8-9H2,1H3
InChIKeyNGYZXIUCPKZUQB-UHFFFAOYSA-N
XLogP3.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
CID 103803146
N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
CID 112792732
methyl 4-[(3-chloropyridine-4-carbonyl)-methylamino]butanoate
CID 66484508
5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
CID 16596269
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 66463234
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
CID 18101732
2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 134028048
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide (CID 66482556) is 3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is NGYZXIUCPKZUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-19(15(20)13-6-7-18-10-14(13)17)8-9-21-12-4-2-11(16)3-5-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide?
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 325.19 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66482556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).