N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide

C16H12BrN5O2 — CID 29135709

IUPACN-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1-n1cnnn1
InChIInChI=1S/C16H12BrN5O2/c1-10(23)12-4-2-3-5-14(12)19-16(24)13-8-11(17)6-7-15(13)22-9-18-20-21-22/h2-9H,1H3,(H,19,24)
InChIKeyHPOPUUBWPBSJFI-UHFFFAOYSA-N
MW386.21 g/mol
LogP2.88
Rot. Bonds4

About N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide

N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide (PubChem CID 29135709) has the molecular formula C16H12BrN5O2 and a molecular weight of 386.21 g/mol. Its IUPAC name is N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide
PubChem CID29135709
Molecular FormulaC16H12BrN5O2
Molecular Weight386.21 g/mol
Exact Mass385.02
IUPAC NameN-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1-n1cnnn1
InChIInChI=1S/C16H12BrN5O2/c1-10(23)12-4-2-3-5-14(12)19-16(24)13-8-11(17)6-7-15(13)22-9-18-20-21-22/h2-9H,1H3,(H,19,24)
InChIKeyHPOPUUBWPBSJFI-UHFFFAOYSA-N
XLogP2.88
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29139681
5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide
CID 42571607
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29136943
N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide
CID 122140618
N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
CID 24711733
[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399359
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873
5-bromo-2-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 71708594
methyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 45370251
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
CID 78773489
5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42569387
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide (CID 29135709) is N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide is CC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1-n1cnnn1.
What is the InChIKey of N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide?
The InChIKey is HPOPUUBWPBSJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5O2/c1-10(23)12-4-2-3-5-14(12)19-16(24)13-8-11(17)6-7-15(13)22-9-18-20-21-22/h2-9H,1H3,(H,19,24).
What are the key properties of N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide?
N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide has a molecular weight of 386.21 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 29135709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).