5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C17H12Cl2N2O2 — CID 800465

IUPAC5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C17H12Cl2N2O2/c18-13-5-1-4-12(16(13)19)14-6-7-15(23-14)17(22)21-10-11-3-2-8-20-9-11/h1-9H,10H2,(H,21,22)
InChIKeyYEEGECWQZVQRSA-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.58
Rot. Bonds4

About 5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 800465) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID800465
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C17H12Cl2N2O2/c18-13-5-1-4-12(16(13)19)14-6-7-15(23-14)17(22)21-10-11-3-2-8-20-9-11/h1-9H,10H2,(H,21,22)
InChIKeyYEEGECWQZVQRSA-UHFFFAOYSA-N
XLogP4.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2,3-Dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735549
Furan-2-carboxamide deriv., 12
CID 44236898
5-((2-Chlorophenoxy)methyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 717071
5-(4-chlorophenyl)-N-(pyridin-3-yl)furan-2-carboxamide
CID 780278
5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2166402
[5-(4-Chloro-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 6462907
N-(3-(5-(3-chlorophenyl)furan-2-carboxamido)propyl)pyrazine-2-carboxamide
CID 6498611
N-(2-(5-(3,4-dichlorophenyl)furan-2-carboxamido)ethyl)pyrazine-2-carboxamide
CID 8030040
5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 53475321
N-(4-chloro-2-{[(3-pyridinylmethyl)amino]carbonyl}phenyl)-2-furamide
CID 1041658
5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 1071266
5-(2,4-dichlorophenyl)-N-quinolin-5-ylfuran-2-carboxamide
CID 1254513

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 800465) is 5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is O=C(NCc1cccnc1)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is YEEGECWQZVQRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c18-13-5-1-4-12(16(13)19)14-6-7-15(23-14)17(22)21-10-11-3-2-8-20-9-11/h1-9H,10H2,(H,21,22).
What are the key properties of 5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 347.20 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 800465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).