N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide

C16H9Cl3N2O2 — CID 1341422

IUPACN-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C16H9Cl3N2O2/c17-10-2-6-15(20-8-10)21-16(22)14-5-4-13(23-14)9-1-3-11(18)12(19)7-9/h1-8H,(H,20,21,22)
InChIKeyDNDLYDNYGOLWNF-UHFFFAOYSA-N
MW367.62 g/mol
LogP5.55
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide

N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 1341422) has the molecular formula C16H9Cl3N2O2 and a molecular weight of 367.62 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
PubChem CID1341422
Molecular FormulaC16H9Cl3N2O2
Molecular Weight367.62 g/mol
Exact Mass365.97
IUPAC NameN-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C16H9Cl3N2O2/c17-10-2-6-15(20-8-10)21-16(22)14-5-4-13(23-14)9-1-3-11(18)12(19)7-9/h1-8H,(H,20,21,22)
InChIKeyDNDLYDNYGOLWNF-UHFFFAOYSA-N
XLogP5.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide (CID 1341422) is N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is DNDLYDNYGOLWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O2/c17-10-2-6-15(20-8-10)21-16(22)14-5-4-13(23-14)9-1-3-11(18)12(19)7-9/h1-8H,(H,20,21,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 367.62 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 1341422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).