2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide

C15H13BrN6O3 — CID 71792254

IUPAC2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide
SMILESCN(C)C(=O)c1nnn(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)n1
InChIInChI=1S/C15H13BrN6O3/c1-21(2)15(24)13-18-20-22(19-13)10-5-3-9(4-6-10)17-14(23)11-7-8-12(16)25-11/h3-8H,1-2H3,(H,17,23)
InChIKeyCDADHNHGKCBUNN-UHFFFAOYSA-N
MW405.21 g/mol
LogP1.97
Rot. Bonds4

About 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide

2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide (PubChem CID 71792254) has the molecular formula C15H13BrN6O3 and a molecular weight of 405.21 g/mol. Its IUPAC name is 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide
PubChem CID71792254
Molecular FormulaC15H13BrN6O3
Molecular Weight405.21 g/mol
Exact Mass404.02
IUPAC Name2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide
SMILESCN(C)C(=O)c1nnn(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)n1
InChIInChI=1S/C15H13BrN6O3/c1-21(2)15(24)13-18-20-22(19-13)10-5-3-9(4-6-10)17-14(23)11-7-8-12(16)25-11/h3-8H,1-2H3,(H,17,23)
InChIKeyCDADHNHGKCBUNN-UHFFFAOYSA-N
XLogP1.97
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide
CID 31409773
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55791104
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 35537874
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 2989629
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
CID 71791443
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide?
The IUPAC name of 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide (CID 71792254) is 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide?
The canonical SMILES for 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide is CN(C)C(=O)c1nnn(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)n1.
What is the InChIKey of 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide?
The InChIKey is CDADHNHGKCBUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN6O3/c1-21(2)15(24)13-18-20-22(19-13)10-5-3-9(4-6-10)17-14(23)11-7-8-12(16)25-11/h3-8H,1-2H3,(H,17,23).
What are the key properties of 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide?
2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide has a molecular weight of 405.21 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide is sourced from PubChem (CID 71792254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).