2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide

C20H20Cl2N2O4 — CID 43002536

IUPAC2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide
SMILESCC1(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)CC1(Cl)Cl
InChIInChI=1S/C20H20Cl2N2O4/c1-19(13-20(19,21)22)18(26)24-23-17(25)12-28-16-9-7-15(8-10-16)27-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyQQMICRIOLRIWLM-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.38
Rot. Bonds7

About 2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide

2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide (PubChem CID 43002536) has the molecular formula C20H20Cl2N2O4 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide
PubChem CID43002536
Molecular FormulaC20H20Cl2N2O4
Molecular Weight423.30 g/mol
Exact Mass422.08
IUPAC Name2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide
SMILESCC1(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)CC1(Cl)Cl
InChIInChI=1S/C20H20Cl2N2O4/c1-19(13-20(19,21)22)18(26)24-23-17(25)12-28-16-9-7-15(8-10-16)27-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyQQMICRIOLRIWLM-UHFFFAOYSA-N
XLogP3.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide
CID 46651058
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
N-ethyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetamide
CID 9224487
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 29154497
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate
CID 51983589
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538928

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide?
The IUPAC name of 2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide (CID 43002536) is 2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for 2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide is CC1(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide?
The InChIKey is QQMICRIOLRIWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4/c1-19(13-20(19,21)22)18(26)24-23-17(25)12-28-16-9-7-15(8-10-16)27-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide?
2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide has a molecular weight of 423.30 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 43002536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).