N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide

C16H12ClN7O4 — CID 26040153

IUPACN'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12ClN7O4/c17-12-5-1-10(2-6-12)15-19-22-23(21-15)9-14(25)18-20-16(26)11-3-7-13(8-4-11)24(27)28/h1-8H,9H2,(H,18,25)(H,20,26)
InChIKeyUGEKTCSIOWXDJK-UHFFFAOYSA-N
MW401.77 g/mol
LogP1.36
Rot. Bonds5

About N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide

N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide (PubChem CID 26040153) has the molecular formula C16H12ClN7O4 and a molecular weight of 401.77 g/mol. Its IUPAC name is N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide
PubChem CID26040153
Molecular FormulaC16H12ClN7O4
Molecular Weight401.77 g/mol
Exact Mass401.06
IUPAC NameN'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12ClN7O4/c17-12-5-1-10(2-6-12)15-19-22-23(21-15)9-14(25)18-20-16(26)11-3-7-13(8-4-11)24(27)28/h1-8H,9H2,(H,18,25)(H,20,26)
InChIKeyUGEKTCSIOWXDJK-UHFFFAOYSA-N
XLogP1.36
TPSA144.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.77
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide (CID 26040153) is N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide?
The InChIKey is UGEKTCSIOWXDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN7O4/c17-12-5-1-10(2-6-12)15-19-22-23(21-15)9-14(25)18-20-16(26)11-3-7-13(8-4-11)24(27)28/h1-8H,9H2,(H,18,25)(H,20,26).
What are the key properties of N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide?
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide has a molecular weight of 401.77 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 26040153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).