2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide

C11H11BrN6O3 — CID 4500460

IUPAC2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C11H11BrN6O3/c1-2-5-17-11(14-15-16-17)13-10(19)8-6-7(18(20)21)3-4-9(8)12/h3-4,6H,2,5H2,1H3,(H,13,14,16,19)
InChIKeyKTPKQVGGKLMCMB-UHFFFAOYSA-N
MW355.15 g/mol
LogP2.01
Rot. Bonds5

About 2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide

2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide (PubChem CID 4500460) has the molecular formula C11H11BrN6O3 and a molecular weight of 355.15 g/mol. Its IUPAC name is 2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
PubChem CID4500460
Molecular FormulaC11H11BrN6O3
Molecular Weight355.15 g/mol
Exact Mass354.01
IUPAC Name2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C11H11BrN6O3/c1-2-5-17-11(14-15-16-17)13-10(19)8-6-7(18(20)21)3-4-9(8)12/h3-4,6H,2,5H2,1H3,(H,13,14,16,19)
InChIKeyKTPKQVGGKLMCMB-UHFFFAOYSA-N
XLogP2.01
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
CID 960311
2-chloro-5-nitro-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 4502180
3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide
CID 960223
2-bromo-5-nitro-N-octylbenzamide
CID 115567380
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide
CID 103910150
(2S)-2-[(2-bromo-5-nitrobenzoyl)amino]pentanoic acid
CID 107564729
2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 62904187
2-bromo-5-nitro-N-[2-(propylamino)ethyl]benzamide
CID 62657860
2-bromo-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 79240934
2-bromo-N-[(2-methylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 63302524
(2R)-2-[(2-bromo-5-nitrobenzoyl)amino]propanoic acid
CID 78979087
2-bromo-N-[(2R)-1-hydroxybutan-2-yl]-5-nitrobenzamide
CID 94056788

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide?
The IUPAC name of 2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide (CID 4500460) is 2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide is CCCn1nnnc1NC(=O)c1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide?
The InChIKey is KTPKQVGGKLMCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN6O3/c1-2-5-17-11(14-15-16-17)13-10(19)8-6-7(18(20)21)3-4-9(8)12/h3-4,6H,2,5H2,1H3,(H,13,14,16,19).
What are the key properties of 2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide?
2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide has a molecular weight of 355.15 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 4500460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).