1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide

C21H22ClFN2O2 — CID 113006619

IUPAC1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C21H22ClFN2O2/c1-2-14-6-3-4-9-18(14)24-20(26)15-10-12-25(13-11-15)21(27)19-16(22)7-5-8-17(19)23/h3-9,15H,2,10-13H2,1H3,(H,24,26)
InChIKeyAZPPCIURPQOQFU-UHFFFAOYSA-N
MW388.87 g/mol
LogP4.53
Rot. Bonds4

About 1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide

1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide (PubChem CID 113006619) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
PubChem CID113006619
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C21H22ClFN2O2/c1-2-14-6-3-4-9-18(14)24-20(26)15-10-12-25(13-11-15)21(27)19-16(22)7-5-8-17(19)23/h3-9,15H,2,10-13H2,1H3,(H,24,26)
InChIKeyAZPPCIURPQOQFU-UHFFFAOYSA-N
XLogP4.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002767
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572
1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006609
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 113003080
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108567332
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
N-(2,3-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642622

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide (CID 113006619) is 1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide is CCc1ccccc1NC(=O)C1CCN(C(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is AZPPCIURPQOQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c1-2-14-6-3-4-9-18(14)24-20(26)15-10-12-25(13-11-15)21(27)19-16(22)7-5-8-17(19)23/h3-9,15H,2,10-13H2,1H3,(H,24,26).
What are the key properties of 1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide?
1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide has a molecular weight of 388.87 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).