N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide

C17H12ClN3O3 — CID 654024

IUPACN-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccccn1)c1ccco1
InChIInChI=1S/C17H12ClN3O3/c18-11-6-7-13(20-17(23)14-4-3-9-24-14)12(10-11)16(22)21-15-5-1-2-8-19-15/h1-10H,(H,20,23)(H,19,21,22)
InChIKeyBQEMTMNSMJLMAJ-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.83
Rot. Bonds4

About N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide

N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 654024) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID654024
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC NameN-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccccn1)c1ccco1
InChIInChI=1S/C17H12ClN3O3/c18-11-6-7-13(20-17(23)14-4-3-9-24-14)12(10-11)16(22)21-15-5-1-2-8-19-15/h1-10H,(H,20,23)(H,19,21,22)
InChIKeyBQEMTMNSMJLMAJ-UHFFFAOYSA-N
XLogP3.83
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide (CID 654024) is N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccccn1)c1ccco1.
What is the InChIKey of N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is BQEMTMNSMJLMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c18-11-6-7-13(20-17(23)14-4-3-9-24-14)12(10-11)16(22)21-15-5-1-2-8-19-15/h1-10H,(H,20,23)(H,19,21,22).
What are the key properties of N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 341.75 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 654024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).