2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide

C15H12ClNO4 — CID 106686174

IUPAC2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
SMILESO=C(c1ccoc1Cl)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C15H12ClNO4/c16-14-13(5-8-21-14)15(18)17(9-11-3-1-6-19-11)10-12-4-2-7-20-12/h1-8H,9-10H2
InChIKeyQMDVGUCAHJAWSQ-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.96
Rot. Bonds5

About 2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide

2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide (PubChem CID 106686174) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
PubChem CID106686174
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
SMILESO=C(c1ccoc1Cl)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C15H12ClNO4/c16-14-13(5-8-21-14)15(18)17(9-11-3-1-6-19-11)10-12-4-2-7-20-12/h1-8H,9-10H2
InChIKeyQMDVGUCAHJAWSQ-UHFFFAOYSA-N
XLogP3.96
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide
CID 1124595
2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308
2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide
CID 106685237
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
5-bromo-2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084721
3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66483339
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 106853587
2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 103614267
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
CID 106685319
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide (CID 106686174) is 2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide is O=C(c1ccoc1Cl)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of 2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide?
The InChIKey is QMDVGUCAHJAWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-14-13(5-8-21-14)15(18)17(9-11-3-1-6-19-11)10-12-4-2-7-20-12/h1-8H,9-10H2.
What are the key properties of 2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide?
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide has a molecular weight of 305.72 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 106686174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).