2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide

C20H20ClFN2O3 — CID 108558620

IUPAC2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)N1CCC(NC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C20H20ClFN2O3/c1-27-17-8-3-2-5-14(17)20(26)24-11-9-13(10-12-24)23-19(25)18-15(21)6-4-7-16(18)22/h2-8,13H,9-12H2,1H3,(H,23,25)
InChIKeyOJNLSBJVKKQFCP-UHFFFAOYSA-N
MW390.84 g/mol
LogP3.52
Rot. Bonds4

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

2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide (PubChem CID 108558620) has the molecular formula C20H20ClFN2O3 and a molecular weight of 390.84 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
PubChem CID108558620
Molecular FormulaC20H20ClFN2O3
Molecular Weight390.84 g/mol
Exact Mass390.11
IUPAC Name2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)N1CCC(NC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C20H20ClFN2O3/c1-27-17-8-3-2-5-14(17)20(26)24-11-9-13(10-12-24)23-19(25)18-15(21)6-4-7-16(18)22/h2-8,13H,9-12H2,1H3,(H,23,25)
InChIKeyOJNLSBJVKKQFCP-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55979355
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108549795
2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide
CID 166358082
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 108567325
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
N-[1-(2-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide (CID 108558620) is 2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide is COc1ccccc1C(=O)N1CCC(NC(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide?
The InChIKey is OJNLSBJVKKQFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O3/c1-27-17-8-3-2-5-14(17)20(26)24-11-9-13(10-12-24)23-19(25)18-15(21)6-4-7-16(18)22/h2-8,13H,9-12H2,1H3,(H,23,25).
What are the key properties of 2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide?
2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide has a molecular weight of 390.84 g/mol, XLogP of 3.52, 4 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-(2-methoxybenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108558620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).