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

C13H14Cl2N2O — CID 114693780

IUPAC2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESO=C(NCC1=CCNCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O/c14-10-1-2-11(12(15)7-10)13(18)17-8-9-3-5-16-6-4-9/h1-3,7,16H,4-6,8H2,(H,17,18)
InChIKeyLDOSABBEMQVBMN-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.64
Rot. Bonds3

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

2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (PubChem CID 114693780) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
PubChem CID114693780
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESO=C(NCC1=CCNCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O/c14-10-1-2-11(12(15)7-10)13(18)17-8-9-3-5-16-6-4-9/h1-3,7,16H,4-6,8H2,(H,17,18)
InChIKeyLDOSABBEMQVBMN-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.64
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

2,4-dichloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487012
3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 107098368
3-chloro-4-iodo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954986
2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
CID 114189535
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide
CID 107487044
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 23019893
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
CID 114693848

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (CID 114693780) is 2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is O=C(NCC1=CCNCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The InChIKey is LDOSABBEMQVBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c14-10-1-2-11(12(15)7-10)13(18)17-8-9-3-5-16-6-4-9/h1-3,7,16H,4-6,8H2,(H,17,18).
What are the key properties of 2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide has a molecular weight of 285.17 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 114693780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).