2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide

C17H18ClFN4O — CID 71786573

IUPAC2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H18ClFN4O/c18-15-9-13(19)1-2-14(15)17(24)22-10-12-3-7-23(8-4-12)16-11-20-5-6-21-16/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,22,24)
InChIKeyDHBUXLWOXJQLNO-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.92
Rot. Bonds4

About 2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide

2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 71786573) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
PubChem CID71786573
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H18ClFN4O/c18-15-9-13(19)1-2-14(15)17(24)22-10-12-3-7-23(8-4-12)16-11-20-5-6-21-16/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,22,24)
InChIKeyDHBUXLWOXJQLNO-UHFFFAOYSA-N
XLogP2.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-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

4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 71786550
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide
CID 121109126
4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 121109069
2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide
CID 119104046
5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 121109096
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
5-(furan-2-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786575
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide (CID 71786573) is 2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide is O=C(NCC1CCN(c2cnccn2)CC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is DHBUXLWOXJQLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-15-9-13(19)1-2-14(15)17(24)22-10-12-3-7-23(8-4-12)16-11-20-5-6-21-16/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,22,24).
What are the key properties of 2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide?
2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 348.81 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 71786573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).