3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide

C15H14Cl2N2O — CID 110660973

IUPAC3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
SMILESO=C(NCCCc1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-13-7-6-11(10-14(13)17)15(20)19-9-3-5-12-4-1-2-8-18-12/h1-2,4,6-8,10H,3,5,9H2,(H,19,20)
InChIKeyIUYZNBAWCGVPMY-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.75
Rot. Bonds5

About 3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide

3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide (PubChem CID 110660973) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
PubChem CID110660973
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
SMILESO=C(NCCCc1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-13-7-6-11(10-14(13)17)15(20)19-9-3-5-12-4-1-2-8-18-12/h1-2,4,6-8,10H,3,5,9H2,(H,19,20)
InChIKeyIUYZNBAWCGVPMY-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
CID 86781630
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
4-(furan-2-yl)-N-(3-pyridin-2-ylpropyl)benzamide
CID 91783448
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide (CID 110660973) is 3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide is O=C(NCCCc1ccccn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide?
The InChIKey is IUYZNBAWCGVPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-13-7-6-11(10-14(13)17)15(20)19-9-3-5-12-4-1-2-8-18-12/h1-2,4,6-8,10H,3,5,9H2,(H,19,20).
What are the key properties of 3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide?
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide has a molecular weight of 309.20 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide is sourced from PubChem (CID 110660973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).