2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide

C22H17ClN6O3 — CID 30882374

IUPAC2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C22H17ClN6O3/c23-17-9-5-15(6-10-17)13-32-20-4-2-1-3-19(20)22(31)26-25-21(30)16-7-11-18(12-8-16)29-14-24-27-28-29/h1-12,14H,13H2,(H,25,30)(H,26,31)
InChIKeyFASSVWRCFRWFEU-UHFFFAOYSA-N
MW448.87 g/mol
LogP2.97
Rot. Bonds6

About 2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide

2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide (PubChem CID 30882374) has the molecular formula C22H17ClN6O3 and a molecular weight of 448.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
PubChem CID30882374
Molecular FormulaC22H17ClN6O3
Molecular Weight448.87 g/mol
Exact Mass448.11
IUPAC Name2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C22H17ClN6O3/c23-17-9-5-15(6-10-17)13-32-20-4-2-1-3-19(20)22(31)26-25-21(30)16-7-11-18(12-8-16)29-14-24-27-28-29/h1-12,14H,13H2,(H,25,30)(H,26,31)
InChIKeyFASSVWRCFRWFEU-UHFFFAOYSA-N
XLogP2.97
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.87
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30878039
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2454005
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide
CID 55937325
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
CID 4931565
N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide
CID 55960600
N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
CID 31540991
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 32651524
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide (CID 30882374) is 2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide is O=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
The InChIKey is FASSVWRCFRWFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O3/c23-17-9-5-15(6-10-17)13-32-20-4-2-1-3-19(20)22(31)26-25-21(30)16-7-11-18(12-8-16)29-14-24-27-28-29/h1-12,14H,13H2,(H,25,30)(H,26,31).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide has a molecular weight of 448.87 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide is sourced from PubChem (CID 30882374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).