2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide

C14H9ClN6O3 — CID 7930073

IUPAC2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H9ClN6O3/c15-13-7-11(21(23)24)5-6-12(13)14(22)17-9-1-3-10(4-2-9)20-8-16-18-19-20/h1-8H,(H,17,22)
InChIKeyLJVPSFJSBMGRAG-UHFFFAOYSA-N
MW344.72 g/mol
LogP2.48
Rot. Bonds4

About 2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide

2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 7930073) has the molecular formula C14H9ClN6O3 and a molecular weight of 344.72 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID7930073
Molecular FormulaC14H9ClN6O3
Molecular Weight344.72 g/mol
Exact Mass344.04
IUPAC Name2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H9ClN6O3/c15-13-7-11(21(23)24)5-6-12(13)14(22)17-9-1-3-10(4-2-9)20-8-16-18-19-20/h1-8H,(H,17,22)
InChIKeyLJVPSFJSBMGRAG-UHFFFAOYSA-N
XLogP2.48
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 52.48
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

4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17011174
N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437
N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 773732
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
methyl 3-nitro-5-[[4-(tetrazol-1-yl)phenyl]carbamoyl]benzoate
CID 26729292
2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
CID 5192048
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998216
2-chloro-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-nitrobenzamide
CID 100803493
2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729277
2-chloro-N-[4-(diethylamino)phenyl]-4-nitrobenzamide
CID 723709
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide (CID 7930073) is 2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is LJVPSFJSBMGRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6O3/c15-13-7-11(21(23)24)5-6-12(13)14(22)17-9-1-3-10(4-2-9)20-8-16-18-19-20/h1-8H,(H,17,22).
What are the key properties of 2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 344.72 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 7930073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).