N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

C21H20ClF3N2O2 — CID 1327753

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C21H20ClF3N2O2/c1-13-4-2-3-5-16(13)20(29)27-10-8-14(9-11-27)19(28)26-18-12-15(21(23,24)25)6-7-17(18)22/h2-7,12,14H,8-11H2,1H3,(H,26,28)
InChIKeyAJKASMZXSCRBMI-UHFFFAOYSA-N
MW424.85 g/mol
LogP5.16
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 1327753) has the molecular formula C21H20ClF3N2O2 and a molecular weight of 424.85 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID1327753
Molecular FormulaC21H20ClF3N2O2
Molecular Weight424.85 g/mol
Exact Mass424.12
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C21H20ClF3N2O2/c1-13-4-2-3-5-16(13)20(29)27-10-8-14(9-11-27)19(28)26-18-12-15(21(23,24)25)6-7-17(18)22/h2-7,12,14H,8-11H2,1H3,(H,26,28)
InChIKeyAJKASMZXSCRBMI-UHFFFAOYSA-N
XLogP5.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.85
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 1327753) is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is AJKASMZXSCRBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N2O2/c1-13-4-2-3-5-16(13)20(29)27-10-8-14(9-11-27)19(28)26-18-12-15(21(23,24)25)6-7-17(18)22/h2-7,12,14H,8-11H2,1H3,(H,26,28).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 424.85 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1327753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).