N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide

C23H20ClFN2O3 — CID 121317931

IUPACN-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide
SMILESO=C(c1cccc(-c2ccco2)c1)N1CCCC(F)(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H20ClFN2O3/c24-18-7-9-19(10-8-18)26-22(29)23(25)11-3-12-27(15-23)21(28)17-5-1-4-16(14-17)20-6-2-13-30-20/h1-2,4-10,13-14H,3,11-12,15H2,(H,26,29)
InChIKeyXCOJKUDLEHYKON-UHFFFAOYSA-N
MW426.88 g/mol
LogP5.18
Rot. Bonds4

About N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide

N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 121317931) has the molecular formula C23H20ClFN2O3 and a molecular weight of 426.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide
PubChem CID121317931
Molecular FormulaC23H20ClFN2O3
Molecular Weight426.88 g/mol
Exact Mass426.11
IUPAC NameN-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide
SMILESO=C(c1cccc(-c2ccco2)c1)N1CCCC(F)(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H20ClFN2O3/c24-18-7-9-19(10-8-18)26-22(29)23(25)11-3-12-27(15-23)21(28)17-5-1-4-16(14-17)20-6-2-13-30-20/h1-2,4-10,13-14H,3,11-12,15H2,(H,26,29)
InChIKeyXCOJKUDLEHYKON-UHFFFAOYSA-N
XLogP5.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.88
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide (CID 121317931) is N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide is O=C(c1cccc(-c2ccco2)c1)N1CCCC(F)(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is XCOJKUDLEHYKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c24-18-7-9-19(10-8-18)26-22(29)23(25)11-3-12-27(15-23)21(28)17-5-1-4-16(14-17)20-6-2-13-30-20/h1-2,4-10,13-14H,3,11-12,15H2,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide?
N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 426.88 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-fluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 121317931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).