N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide

C17H17ClN2O3 — CID 891930

IUPACN-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)N1CCCCC1)c1ccco1
InChIInChI=1S/C17H17ClN2O3/c18-12-6-7-14(19-16(21)15-5-4-10-23-15)13(11-12)17(22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,19,21)
InChIKeyQYYBCTXLDNYUIY-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.81
Rot. Bonds3

About N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide

N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 891930) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
PubChem CID891930
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)N1CCCCC1)c1ccco1
InChIInChI=1S/C17H17ClN2O3/c18-12-6-7-14(19-16(21)15-5-4-10-23-15)13(11-12)17(22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,19,21)
InChIKeyQYYBCTXLDNYUIY-UHFFFAOYSA-N
XLogP3.81
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide (CID 891930) is N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)N1CCCCC1)c1ccco1.
What is the InChIKey of N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is QYYBCTXLDNYUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-12-6-7-14(19-16(21)15-5-4-10-23-15)13(11-12)17(22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,19,21).
What are the key properties of N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 891930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).