2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide

C14H12Cl2N2O — CID 26711708

IUPAC2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccnc1Cl
InChIInChI=1S/C14H12Cl2N2O/c15-11-5-3-10(4-6-11)7-9-18-14(19)12-2-1-8-17-13(12)16/h1-6,8H,7,9H2,(H,18,19)
InChIKeyLEZZAWQTUKYTMM-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.36
Rot. Bonds4

About 2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide

2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 26711708) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID26711708
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccnc1Cl
InChIInChI=1S/C14H12Cl2N2O/c15-11-5-3-10(4-6-11)7-9-18-14(19)12-2-1-8-17-13(12)16/h1-6,8H,7,9H2,(H,18,19)
InChIKeyLEZZAWQTUKYTMM-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide
CID 110853490

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide (CID 26711708) is 2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is LEZZAWQTUKYTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-11-5-3-10(4-6-11)7-9-18-14(19)12-2-1-8-17-13(12)16/h1-6,8H,7,9H2,(H,18,19).
What are the key properties of 2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 295.17 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 26711708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).