2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide

C19H17ClF2N2O2 — CID 108558699

IUPAC2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cccc(F)c2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C19H17ClF2N2O2/c20-15-5-2-6-16(22)17(15)18(25)23-14-7-9-24(10-8-14)19(26)12-3-1-4-13(21)11-12/h1-6,11,14H,7-10H2,(H,23,25)
InChIKeyFDRHYFYOLDBNDS-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.65
Rot. Bonds3

About 2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide

2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide (PubChem CID 108558699) has the molecular formula C19H17ClF2N2O2 and a molecular weight of 378.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
PubChem CID108558699
Molecular FormulaC19H17ClF2N2O2
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC Name2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cccc(F)c2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C19H17ClF2N2O2/c20-15-5-2-6-16(22)17(15)18(25)23-14-7-9-24(10-8-14)19(26)12-3-1-4-13(21)11-12/h1-6,11,14H,7-10H2,(H,23,25)
InChIKeyFDRHYFYOLDBNDS-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 108567325
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108566898
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide
CID 108558645
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558620
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760
[4-[4-[(2-chloro-6-fluorobenzoyl)amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108558614
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
CID 108563078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide (CID 108558699) is 2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2cccc(F)c2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide?
The InChIKey is FDRHYFYOLDBNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O2/c20-15-5-2-6-16(22)17(15)18(25)23-14-7-9-24(10-8-14)19(26)12-3-1-4-13(21)11-12/h1-6,11,14H,7-10H2,(H,23,25).
What are the key properties of 2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide?
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide has a molecular weight of 378.81 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108558699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).