2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide

C19H21ClFN3O — CID 16895942

IUPAC2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2ccncc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C19H21ClFN3O/c20-16-2-1-3-17(21)18(16)19(25)23-12-14-6-10-24(11-7-14)13-15-4-8-22-9-5-15/h1-5,8-9,14H,6-7,10-13H2,(H,23,25)
InChIKeyWFFDWFQGTIIXLS-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.52
Rot. Bonds5

About 2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide

2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16895942) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16895942
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2ccncc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C19H21ClFN3O/c20-16-2-1-3-17(21)18(16)19(25)23-12-14-6-10-24(11-7-14)13-15-4-8-22-9-5-15/h1-5,8-9,14H,6-7,10-13H2,(H,23,25)
InChIKeyWFFDWFQGTIIXLS-UHFFFAOYSA-N
XLogP3.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
2-chloro-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-6-fluorobenzamide
CID 108922186
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895958
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
CID 16895608
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
1-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 53284574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16895942) is 2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(Cc2ccncc2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is WFFDWFQGTIIXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-16-2-1-3-17(21)18(16)19(25)23-12-14-6-10-24(11-7-14)13-15-4-8-22-9-5-15/h1-5,8-9,14H,6-7,10-13H2,(H,23,25).
What are the key properties of 2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 361.85 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16895942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).