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

C14H10N6O3 — CID 17011174

IUPAC4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N6O3/c21-14(10-1-5-13(6-2-10)20(22)23)16-11-3-7-12(8-4-11)19-9-15-17-18-19/h1-9H,(H,16,21)
InChIKeyWYHSKRUWGGMJJH-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.82
Rot. Bonds4

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

4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 17011174) has the molecular formula C14H10N6O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID17011174
Molecular FormulaC14H10N6O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N6O3/c21-14(10-1-5-13(6-2-10)20(22)23)16-11-3-7-12(8-4-11)19-9-15-17-18-19/h1-9H,(H,16,21)
InChIKeyWYHSKRUWGGMJJH-UHFFFAOYSA-N
XLogP1.82
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.82
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-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 7930073
methyl 3-nitro-5-[[4-(tetrazol-1-yl)phenyl]carbamoyl]benzoate
CID 26729292
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
ethyl 3-nitro-5-[[4-(tetrazol-1-yl)phenyl]carbamoyl]benzoate
CID 26729054
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9450376
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998216
N-[4-(5-chlorobenzotriazol-2-yl)phenyl]-4-nitrobenzamide
CID 134159674
(E)-3-(3-nitrophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 7930086
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide (CID 17011174) is 4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is WYHSKRUWGGMJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O3/c21-14(10-1-5-13(6-2-10)20(22)23)16-11-3-7-12(8-4-11)19-9-15-17-18-19/h1-9H,(H,16,21).
What are the key properties of 4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 310.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 17011174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).