2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide

C13H15ClN2O — CID 114693546

IUPAC2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESO=C(NCC1=CCNCC1)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O/c14-12-4-2-1-3-11(12)13(17)16-9-10-5-7-15-8-6-10/h1-5,15H,6-9H2,(H,16,17)
InChIKeyVOWFGFKTBJGIMH-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.99
Rot. Bonds3

About 2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide

2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (PubChem CID 114693546) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
PubChem CID114693546
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESO=C(NCC1=CCNCC1)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O/c14-12-4-2-1-3-11(12)13(17)16-9-10-5-7-15-8-6-10/h1-5,15H,6-9H2,(H,16,17)
InChIKeyVOWFGFKTBJGIMH-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 107098368
2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693780
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide
CID 114693786
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide
CID 114693767
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
CID 114693848
3-chloro-4-iodo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954986
2,4-dichloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487012
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486730
3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide
CID 107487044
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 114693648
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
CID 114693829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (CID 114693546) is 2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is O=C(NCC1=CCNCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The InChIKey is VOWFGFKTBJGIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-12-4-2-1-3-11(12)13(17)16-9-10-5-7-15-8-6-10/h1-5,15H,6-9H2,(H,16,17).
What are the key properties of 2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide has a molecular weight of 250.73 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 114693546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).