2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide

C14H12Cl2N2O — CID 18168780

IUPAC2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1Cl)c1cccnc1
InChIInChI=1S/C14H12Cl2N2O/c1-9(10-3-2-6-17-8-10)18-14(19)12-7-11(15)4-5-13(12)16/h2-9H,1H3,(H,18,19)
InChIKeyPGLHSQIUKXGQNP-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.88
Rot. Bonds3

About 2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide

2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 18168780) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID18168780
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1Cl)c1cccnc1
InChIInChI=1S/C14H12Cl2N2O/c1-9(10-3-2-6-17-8-10)18-14(19)12-7-11(15)4-5-13(12)16/h2-9H,1H3,(H,18,19)
InChIKeyPGLHSQIUKXGQNP-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide
CID 51193025
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
2-(2,5-dichlorophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163135
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103891645
4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 107794747
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide (CID 18168780) is 2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide is CC(NC(=O)c1cc(Cl)ccc1Cl)c1cccnc1.
What is the InChIKey of 2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is PGLHSQIUKXGQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-9(10-3-2-6-17-8-10)18-14(19)12-7-11(15)4-5-13(12)16/h2-9H,1H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide?
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 295.17 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 18168780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).