4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide

C19H17Cl3N2O3 — CID 46651058

IUPAC4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide
SMILESCC1(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1(Cl)Cl
InChIInChI=1S/C19H17Cl3N2O3/c1-18(11-19(18,21)22)17(26)24-23-16(25)13-4-2-12(3-5-13)10-27-15-8-6-14(20)7-9-15/h2-9H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyCESBWQBCTBJFQU-UHFFFAOYSA-N
MW427.72 g/mol
LogP4.26
Rot. Bonds5

About 4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide

4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide (PubChem CID 46651058) has the molecular formula C19H17Cl3N2O3 and a molecular weight of 427.72 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide
PubChem CID46651058
Molecular FormulaC19H17Cl3N2O3
Molecular Weight427.72 g/mol
Exact Mass426.03
IUPAC Name4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide
SMILESCC1(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1(Cl)Cl
InChIInChI=1S/C19H17Cl3N2O3/c1-18(11-19(18,21)22)17(26)24-23-16(25)13-4-2-12(3-5-13)10-27-15-8-6-14(20)7-9-15/h2-9H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyCESBWQBCTBJFQU-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.72
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide
CID 43002536
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide
CID 60584363
N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
CID 24514086
4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide
CID 55786769
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 26850877
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide
CID 7916431
N-[5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 55544586

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide (CID 46651058) is 4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide is CC1(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1(Cl)Cl.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide?
The InChIKey is CESBWQBCTBJFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N2O3/c1-18(11-19(18,21)22)17(26)24-23-16(25)13-4-2-12(3-5-13)10-27-15-8-6-14(20)7-9-15/h2-9H,10-11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide?
4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide has a molecular weight of 427.72 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide is sourced from PubChem (CID 46651058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).