3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide

C24H20F2N6O4 — CID 46491518

IUPAC3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1OC(F)F
InChIInChI=1S/C24H20F2N6O4/c1-35-19-12-11-18(13-20(19)36-24(25)26)23(34)29-28-22(33)17-9-7-15(8-10-17)14-32-30-21(27-31-32)16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,28,33)(H,29,34)
InChIKeyVPOJZYDRJRXBNY-UHFFFAOYSA-N
MW494.46 g/mol
LogP3.07
Rot. Bonds8

About 3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide

3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide (PubChem CID 46491518) has the molecular formula C24H20F2N6O4 and a molecular weight of 494.46 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
PubChem CID46491518
Molecular FormulaC24H20F2N6O4
Molecular Weight494.46 g/mol
Exact Mass494.15
IUPAC Name3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1OC(F)F
InChIInChI=1S/C24H20F2N6O4/c1-35-19-12-11-18(13-20(19)36-24(25)26)23(34)29-28-22(33)17-9-7-15(8-10-17)14-32-30-21(27-31-32)16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,28,33)(H,29,34)
InChIKeyVPOJZYDRJRXBNY-UHFFFAOYSA-N
XLogP3.07
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]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

3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
3,4-dimethoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-prop-2-enylbenzohydrazide
CID 24541970
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541850
3,4-dimethyl-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]benzamide
CID 24541956
N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55792292
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 16553645
2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24658106
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide (CID 46491518) is 3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The InChIKey is VPOJZYDRJRXBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O4/c1-35-19-12-11-18(13-20(19)36-24(25)26)23(34)29-28-22(33)17-9-7-15(8-10-17)14-32-30-21(27-31-32)16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,28,33)(H,29,34).
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide has a molecular weight of 494.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide is sourced from PubChem (CID 46491518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).