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

C20H17ClF4N2O2 — CID 166220491

IUPAC4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C20H17ClF4N2O2/c21-12-5-6-14(16(11-12)20(23,24)25)18(28)26-13-7-9-27(10-8-13)19(29)15-3-1-2-4-17(15)22/h1-6,11,13H,7-10H2,(H,26,28)
InChIKeyHEUHGQFYRHGDLS-UHFFFAOYSA-N
MW428.81 g/mol
LogP4.53
Rot. Bonds3

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

4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide (PubChem CID 166220491) has the molecular formula C20H17ClF4N2O2 and a molecular weight of 428.81 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
PubChem CID166220491
Molecular FormulaC20H17ClF4N2O2
Molecular Weight428.81 g/mol
Exact Mass428.09
IUPAC Name4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C20H17ClF4N2O2/c21-12-5-6-14(16(11-12)20(23,24)25)18(28)26-13-7-9-27(10-8-13)19(29)15-3-1-2-4-17(15)22/h1-6,11,13H,7-10H2,(H,26,28)
InChIKeyHEUHGQFYRHGDLS-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

2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide
CID 166358082
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555137
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561767
2-(3-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-methyltriazole-4-carboxamide
CID 78875640
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561789
3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide
CID 108559879

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide (CID 166220491) is 4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide is O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is HEUHGQFYRHGDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF4N2O2/c21-12-5-6-14(16(11-12)20(23,24)25)18(28)26-13-7-9-27(10-8-13)19(29)15-3-1-2-4-17(15)22/h1-6,11,13H,7-10H2,(H,26,28).
What are the key properties of 4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(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 4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 166220491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).