5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide

C12H9BrClNO2 — CID 888361

IUPAC5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C12H9BrClNO2/c13-11-6-5-10(17-11)12(16)15-7-8-3-1-2-4-9(8)14/h1-6H,7H2,(H,15,16)
InChIKeyQYYSOTGPGNSGQH-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.63
Rot. Bonds3

About 5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide

5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide (PubChem CID 888361) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is 5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
PubChem CID888361
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC Name5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C12H9BrClNO2/c13-11-6-5-10(17-11)12(16)15-7-8-3-1-2-4-9(8)14/h1-6H,7H2,(H,15,16)
InChIKeyQYYSOTGPGNSGQH-UHFFFAOYSA-N
XLogP3.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide (CID 888361) is 5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide is O=C(NCc1ccccc1Cl)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide?
The InChIKey is QYYSOTGPGNSGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c13-11-6-5-10(17-11)12(16)15-7-8-3-1-2-4-9(8)14/h1-6H,7H2,(H,15,16).
What are the key properties of 5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide?
5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide has a molecular weight of 314.57 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 888361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).