5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide

C16H12ClNO3 — CID 944598

IUPAC5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H12ClNO3/c17-12-4-1-3-11(9-12)14-6-7-15(21-14)16(19)18-10-13-5-2-8-20-13/h1-9H,10H2,(H,18,19)
InChIKeyVPGFJRUBGHVRSX-UHFFFAOYSA-N
MW301.73 g/mol
LogP4.12
Rot. Bonds4

About 5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide

5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide (PubChem CID 944598) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
PubChem CID944598
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H12ClNO3/c17-12-4-1-3-11(9-12)14-6-7-15(21-14)16(19)18-10-13-5-2-8-20-13/h1-9H,10H2,(H,18,19)
InChIKeyVPGFJRUBGHVRSX-UHFFFAOYSA-N
XLogP4.12
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide (CID 944598) is 5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide is O=C(NCc1ccco1)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is VPGFJRUBGHVRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c17-12-4-1-3-11(9-12)14-6-7-15(21-14)16(19)18-10-13-5-2-8-20-13/h1-9H,10H2,(H,18,19).
What are the key properties of 5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide?
5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 944598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).