2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide

C13H9BrN4O2 — CID 106853025

IUPAC2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(-n2nccn2)cc1)c1ccoc1Br
InChIInChI=1S/C13H9BrN4O2/c14-12-11(5-8-20-12)13(19)17-9-1-3-10(4-2-9)18-15-6-7-16-18/h1-8H,(H,17,19)
InChIKeyICXYXVYTYNOYBK-UHFFFAOYSA-N
MW333.15 g/mol
LogP2.88
Rot. Bonds3

About 2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide

2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide (PubChem CID 106853025) has the molecular formula C13H9BrN4O2 and a molecular weight of 333.15 g/mol. Its IUPAC name is 2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide
PubChem CID106853025
Molecular FormulaC13H9BrN4O2
Molecular Weight333.15 g/mol
Exact Mass331.99
IUPAC Name2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(-n2nccn2)cc1)c1ccoc1Br
InChIInChI=1S/C13H9BrN4O2/c14-12-11(5-8-20-12)13(19)17-9-1-3-10(4-2-9)18-15-6-7-16-18/h1-8H,(H,17,19)
InChIKeyICXYXVYTYNOYBK-UHFFFAOYSA-N
XLogP2.88
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-bromofuran-3-carboxamide
CID 106852251
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide
CID 106853299
5-bromo-N-[4-(triazol-2-yl)phenyl]pyridine-2-carboxamide
CID 62954396
2-bromo-N-[4-(2-chloroethyl)phenyl]furan-3-carboxamide
CID 106856118
2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide
CID 106853117
2-bromo-N-thiophen-3-ylfuran-3-carboxamide
CID 106854104
2-bromo-N-(2-bromophenyl)furan-3-carboxamide
CID 106852264
2-bromo-N-(6-bromonaphthalen-2-yl)furan-3-carboxamide
CID 106852301
2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide
CID 106852624
2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338762
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide (CID 106853025) is 2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide is O=C(Nc1ccc(-n2nccn2)cc1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide?
The InChIKey is ICXYXVYTYNOYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O2/c14-12-11(5-8-20-12)13(19)17-9-1-3-10(4-2-9)18-15-6-7-16-18/h1-8H,(H,17,19).
What are the key properties of 2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide?
2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide has a molecular weight of 333.15 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106853025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).