N-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide

C18H14ClN3O3 — CID 1041658

IUPACN-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)NCc1cccnc1)c1ccco1
InChIInChI=1S/C18H14ClN3O3/c19-13-5-6-15(22-18(24)16-4-2-8-25-16)14(9-13)17(23)21-11-12-3-1-7-20-10-12/h1-10H,11H2,(H,21,23)(H,22,24)
InChIKeyFNWYQKHMQWKDMF-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.51
Rot. Bonds5

About N-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide

N-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 1041658) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is N-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID1041658
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC NameN-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)NCc1cccnc1)c1ccco1
InChIInChI=1S/C18H14ClN3O3/c19-13-5-6-15(22-18(24)16-4-2-8-25-16)14(9-13)17(23)21-11-12-3-1-7-20-10-12/h1-10H,11H2,(H,21,23)(H,22,24)
InChIKeyFNWYQKHMQWKDMF-UHFFFAOYSA-N
XLogP3.51
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.51
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-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (CID 1041658) is N-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)NCc1cccnc1)c1ccco1.
What is the InChIKey of N-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is FNWYQKHMQWKDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-13-5-6-15(22-18(24)16-4-2-8-25-16)14(9-13)17(23)21-11-12-3-1-7-20-10-12/h1-10H,11H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
N-[4-chloro-2-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 355.78 g/mol, XLogP of 3.51, 5 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-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1041658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).