4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide

C22H22ClN3O3 — CID 60584363

IUPAC4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide
SMILESN#CC1(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CCCCC1
InChIInChI=1S/C22H22ClN3O3/c23-18-8-10-19(11-9-18)29-14-16-4-6-17(7-5-16)20(27)25-26-21(28)22(15-24)12-2-1-3-13-22/h4-11H,1-3,12-14H2,(H,25,27)(H,26,28)
InChIKeyMIFQBRKNVVBUJR-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.15
Rot. Bonds5

About 4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide

4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide (PubChem CID 60584363) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide
PubChem CID60584363
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide
SMILESN#CC1(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CCCCC1
InChIInChI=1S/C22H22ClN3O3/c23-18-8-10-19(11-9-18)29-14-16-4-6-17(7-5-16)20(27)25-26-21(28)22(15-24)12-2-1-3-13-22/h4-11H,1-3,12-14H2,(H,25,27)(H,26,28)
InChIKeyMIFQBRKNVVBUJR-UHFFFAOYSA-N
XLogP4.15
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide
CID 46651058
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide
CID 7916431
(4-chlorophenyl)methyl 1-cyanocyclohexane-1-carboxylate
CID 60584159
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
4-[(4-chlorophenoxy)methyl]-N-(2-cyanocyclopenten-1-yl)benzamide
CID 2941233
4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
CID 162787095
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
CID 24514086

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide (CID 60584363) is 4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide is N#CC1(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CCCCC1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide?
The InChIKey is MIFQBRKNVVBUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-18-8-10-19(11-9-18)29-14-16-4-6-17(7-5-16)20(27)25-26-21(28)22(15-24)12-2-1-3-13-22/h4-11H,1-3,12-14H2,(H,25,27)(H,26,28).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide?
4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide has a molecular weight of 411.89 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide is sourced from PubChem (CID 60584363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).