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

C17H18ClF3N2O2 — CID 113008466

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H18ClF3N2O2/c18-12-3-4-14(13(9-12)17(19,20)21)22-15(24)10-5-7-23(8-6-10)16(25)11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,22,24)
InChIKeyIFDKLHVGQQRUGF-UHFFFAOYSA-N
MW374.79 g/mol
LogP3.95
Rot. Bonds3

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (PubChem CID 113008466) has the molecular formula C17H18ClF3N2O2 and a molecular weight of 374.79 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
PubChem CID113008466
Molecular FormulaC17H18ClF3N2O2
Molecular Weight374.79 g/mol
Exact Mass374.10
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H18ClF3N2O2/c18-12-3-4-14(13(9-12)17(19,20)21)22-15(24)10-5-7-23(8-6-10)16(25)11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,22,24)
InChIKeyIFDKLHVGQQRUGF-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26410092
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
[4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone
CID 113080094
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682207
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147476
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959266
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 172888872
4-O-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate
CID 46681317

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (CID 113008466) is N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The InChIKey is IFDKLHVGQQRUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N2O2/c18-12-3-4-14(13(9-12)17(19,20)21)22-15(24)10-5-7-23(8-6-10)16(25)11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,22,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide has a molecular weight of 374.79 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).