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

C16H12BrN7O4 — CID 30834317

IUPACN'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide
SMILESO=C(Cn1nnc(-c2ccc(Br)cc2)n1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12BrN7O4/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)
InChIKeyHCENJKFUIGTFFG-UHFFFAOYSA-N
MW446.22 g/mol
LogP1.47
Rot. Bonds5

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

N'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide (PubChem CID 30834317) has the molecular formula C16H12BrN7O4 and a molecular weight of 446.22 g/mol. Its IUPAC name is N'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide
PubChem CID30834317
Molecular FormulaC16H12BrN7O4
Molecular Weight446.22 g/mol
Exact Mass445.01
IUPAC NameN'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide
SMILESO=C(Cn1nnc(-c2ccc(Br)cc2)n1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12BrN7O4/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)
InChIKeyHCENJKFUIGTFFG-UHFFFAOYSA-N
XLogP1.47
TPSA144.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.22
LogP ≤ 51.47
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'}

Analyze N'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide
CID 26040153
N-benzyl-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 866054
2-[5-(4-nitrophenyl)tetrazol-2-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 1129870
4-bromo-N'-[4-(5-phenyltetrazol-2-yl)butanoyl]benzohydrazide
CID 86874442
N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 1129858
N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide
CID 78883917
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
CID 9468291
ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
N-(1,4-dioxan-2-ylmethyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 3213442
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
N-(2-methoxy-4-nitrophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713097

Frequently Asked Questions

What is the IUPAC name of N'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide (CID 30834317) is N'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide is O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide?
The InChIKey is HCENJKFUIGTFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN7O4/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-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide?
N'-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide has a molecular weight of 446.22 g/mol, XLogP of 1.47, 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-bromophenyl)tetrazol-2-yl]acetyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 30834317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).