N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

C16H18ClFN2O2 — CID 26410092

IUPACN-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H18ClFN2O2/c17-12-3-4-14(13(18)9-12)19-15(21)10-5-7-20(8-6-10)16(22)11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,19,21)
InChIKeyYFHFFKJVSQJNJA-UHFFFAOYSA-N
MW324.78 g/mol
LogP3.07
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (PubChem CID 26410092) has the molecular formula C16H18ClFN2O2 and a molecular weight of 324.78 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
PubChem CID26410092
Molecular FormulaC16H18ClFN2O2
Molecular Weight324.78 g/mol
Exact Mass324.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H18ClFN2O2/c17-12-3-4-14(13(18)9-12)19-15(21)10-5-7-20(8-6-10)16(22)11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,19,21)
InChIKeyYFHFFKJVSQJNJA-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
4-[(2-fluoro-4-hydroxyphenyl)carbamoyl]piperidine-1-carbonyl fluoride
CID 166385310
N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147669
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 60594428
N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147476
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150113

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (CID 26410092) is N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1F)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The InChIKey is YFHFFKJVSQJNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O2/c17-12-3-4-14(13(18)9-12)19-15(21)10-5-7-20(8-6-10)16(22)11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,19,21).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide has a molecular weight of 324.78 g/mol, XLogP of 3.07, 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-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 26410092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).