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

C11H11ClN6O3 — CID 960311

IUPAC2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H11ClN6O3/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)
InChIKeyJMSQITAOXFEELC-UHFFFAOYSA-N
MW310.70 g/mol
LogP1.90
Rot. Bonds5

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

2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide (PubChem CID 960311) has the molecular formula C11H11ClN6O3 and a molecular weight of 310.70 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
PubChem CID960311
Molecular FormulaC11H11ClN6O3
Molecular Weight310.70 g/mol
Exact Mass310.06
IUPAC Name2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H11ClN6O3/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)
InChIKeyJMSQITAOXFEELC-UHFFFAOYSA-N
XLogP1.90
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 51.90
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)carbamothioyl]benzamide
CID 4502180
2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
CID 4500460
N-[(2R)-butan-2-yl]-2-chloro-5-nitrobenzamide
CID 40537964
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-chloro-N-heptyl-5-nitrobenzamide
CID 5111149
2-chloro-N-(2-methylbutan-2-yl)-5-nitrobenzamide
CID 2668692
2-chloro-N-[(1-cyclopropyltetrazol-5-yl)methyl]-5-nitrobenzamide
CID 71869727
2-chloro-5-nitro-N-(4-pentoxyphenyl)benzamide
CID 19171139
2-chloro-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 78955439
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 1222417
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 63302246

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide (CID 960311) is 2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide is CCCn1nnnc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide?
The InChIKey is JMSQITAOXFEELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6O3/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-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide?
2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide has a molecular weight of 310.70 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 960311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).