N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide

C16H11F3N6O2 — CID 4847179

IUPACN'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H11F3N6O2/c17-16(18,19)12-3-1-2-11(8-12)15(27)22-21-14(26)10-4-6-13(7-5-10)25-9-20-23-24-25/h1-9H,(H,21,26)(H,22,27)
InChIKeyCDTFAXMBMYHPRI-UHFFFAOYSA-N
MW376.30 g/mol
LogP1.76
Rot. Bonds3

About N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide

N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide (PubChem CID 4847179) has the molecular formula C16H11F3N6O2 and a molecular weight of 376.30 g/mol. Its IUPAC name is N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide
PubChem CID4847179
Molecular FormulaC16H11F3N6O2
Molecular Weight376.30 g/mol
Exact Mass376.09
IUPAC NameN'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H11F3N6O2/c17-16(18,19)12-3-1-2-11(8-12)15(27)22-21-14(26)10-4-6-13(7-5-10)25-9-20-23-24-25/h1-9H,(H,21,26)(H,22,27)
InChIKeyCDTFAXMBMYHPRI-UHFFFAOYSA-N
XLogP1.76
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide 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-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
N-(phenylcarbonylamino)(3-(1,2,3,4-tetraazolyl)phenyl)carboxamide
CID 866071
N-[(E)-(2-methylphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 9684494
4-(1H-tetrazol-1-yl)benzohydrazide
CID 2114009
N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 6218761
N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide
CID 4847938
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 8753002
2-(1H-tetrazol-1-yl)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 2576586
N-[(E)-(4-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 9684503
N-Phenethyl-4-tetrazol-1-yl-benzamide
CID 645782

Frequently Asked Questions

What is the IUPAC name of N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide (CID 4847179) is N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide is O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide?
The InChIKey is CDTFAXMBMYHPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O2/c17-16(18,19)12-3-1-2-11(8-12)15(27)22-21-14(26)10-4-6-13(7-5-10)25-9-20-23-24-25/h1-9H,(H,21,26)(H,22,27).
What are the key properties of N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide?
N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide has a molecular weight of 376.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(tetrazol-1-yl)benzoyl]-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 4847179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).