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

C14H17ClN2O — CID 107098368

IUPAC3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)NCC1=CCNCC1
InChIInChI=1S/C14H17ClN2O/c1-10-12(3-2-4-13(10)15)14(18)17-9-11-5-7-16-8-6-11/h2-5,16H,6-9H2,1H3,(H,17,18)
InChIKeyGDFYEYQPJKBUCM-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.30
Rot. Bonds3

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

3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (PubChem CID 107098368) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
PubChem CID107098368
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)NCC1=CCNCC1
InChIInChI=1S/C14H17ClN2O/c1-10-12(3-2-4-13(10)15)14(18)17-9-11-5-7-16-8-6-11/h2-5,16H,6-9H2,1H3,(H,17,18)
InChIKeyGDFYEYQPJKBUCM-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (CID 107098368) is 3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is Cc1c(Cl)cccc1C(=O)NCC1=CCNCC1.
What is the InChIKey of 3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The InChIKey is GDFYEYQPJKBUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10-12(3-2-4-13(10)15)14(18)17-9-11-5-7-16-8-6-11/h2-5,16H,6-9H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide has a molecular weight of 264.76 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 107098368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).