5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide

C13H8BrClN4O2 — CID 18084470

IUPAC5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Br)o1
InChIInChI=1S/C13H8BrClN4O2/c14-12-4-3-11(21-12)13(20)18-9-5-8(15)1-2-10(9)19-7-16-6-17-19/h1-7H,(H,18,20)
InChIKeyFWMYYWUFWFOYJL-UHFFFAOYSA-N
MW367.59 g/mol
LogP3.53
Rot. Bonds3

About 5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide

5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide (PubChem CID 18084470) has the molecular formula C13H8BrClN4O2 and a molecular weight of 367.59 g/mol. Its IUPAC name is 5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide
PubChem CID18084470
Molecular FormulaC13H8BrClN4O2
Molecular Weight367.59 g/mol
Exact Mass365.95
IUPAC Name5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Br)o1
InChIInChI=1S/C13H8BrClN4O2/c14-12-4-3-11(21-12)13(20)18-9-5-8(15)1-2-10(9)19-7-16-6-17-19/h1-7H,(H,18,20)
InChIKeyFWMYYWUFWFOYJL-UHFFFAOYSA-N
XLogP3.53
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.59
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-methyl-2-furamide
CID 24980893
5-bromo-N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)furan-2-carboxamide
CID 16799259
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-nitro-2-furamide
CID 24981106
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide
CID 16342798
5-bromo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}furan-2-carboxamide
CID 30873227
5-bromo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17531325
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43000766
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-[(2-fluorophenoxy)methyl]furan-2-carboxamide
CID 45902983
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-[(2-fluorophenoxy)methyl]furan-2-carboxamide
CID 45904173
5-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide
CID 51125248
5-bromo-N-[2-chloro-5-(1H-tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 45494499
5-bromo-N-[3-(1H-tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 1767222

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide (CID 18084470) is 5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is FWMYYWUFWFOYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN4O2/c14-12-4-3-11(21-12)13(20)18-9-5-8(15)1-2-10(9)19-7-16-6-17-19/h1-7H,(H,18,20).
What are the key properties of 5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 367.59 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 18084470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).