3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

C14H10N6O3 — CID 17163937

IUPAC3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N6O3/c21-14(10-4-2-6-12(8-10)20(22)23)15-11-5-1-3-9(7-11)13-16-18-19-17-13/h1-8H,(H,15,21)(H,16,17,18,19)
InChIKeyFWGZIKAQBRJPNC-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.03
Rot. Bonds4

About 3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 17163937) has the molecular formula C14H10N6O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID17163937
Molecular FormulaC14H10N6O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N6O3/c21-14(10-4-2-6-12(8-10)20(22)23)15-11-5-1-3-9(7-11)13-16-18-19-17-13/h1-8H,(H,15,21)(H,16,17,18,19)
InChIKeyFWGZIKAQBRJPNC-UHFFFAOYSA-N
XLogP2.03
TPSA126.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 7422510
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 26841756
3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 166211148
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-indazole-5-carboxamide
CID 56851706
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 17163937) is 3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is FWGZIKAQBRJPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O3/c21-14(10-4-2-6-12(8-10)20(22)23)15-11-5-1-3-9(7-11)13-16-18-19-17-13/h1-8H,(H,15,21)(H,16,17,18,19).
What are the key properties of 3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 310.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 17163937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).