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

C20H17ClF4N2O2 — CID 166358082

IUPAC2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C20H17ClF4N2O2/c21-15-6-3-5-14(20(23,24)25)17(15)18(28)26-12-8-10-27(11-9-12)19(29)13-4-1-2-7-16(13)22/h1-7,12H,8-11H2,(H,26,28)
InChIKeyYBWLZBLIQWARLK-UHFFFAOYSA-N
MW428.81 g/mol
LogP4.53
Rot. Bonds3

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

2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide (PubChem CID 166358082) has the molecular formula C20H17ClF4N2O2 and a molecular weight of 428.81 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide
PubChem CID166358082
Molecular FormulaC20H17ClF4N2O2
Molecular Weight428.81 g/mol
Exact Mass428.09
IUPAC Name2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C20H17ClF4N2O2/c21-15-6-3-5-14(20(23,24)25)17(15)18(28)26-12-8-10-27(11-9-12)19(29)13-4-1-2-7-16(13)22/h1-7,12H,8-11H2,(H,26,28)
InChIKeyYBWLZBLIQWARLK-UHFFFAOYSA-N
XLogP4.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 166220491
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558620
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108567322
2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 86898999
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide (CID 166358082) is 2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide is O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide?
The InChIKey is YBWLZBLIQWARLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF4N2O2/c21-15-6-3-5-14(20(23,24)25)17(15)18(28)26-12-8-10-27(11-9-12)19(29)13-4-1-2-7-16(13)22/h1-7,12H,8-11H2,(H,26,28).
What are the key properties of 2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide?
2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide has a molecular weight of 428.81 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 166358082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).