N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide

C18H17ClF2N2O5 — CID 9470195

IUPACN'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)COc2ccccc2Cl)ccc1OC(F)F
InChIInChI=1S/C18H17ClF2N2O5/c1-2-26-15-9-11(7-8-14(15)28-18(20)21)17(25)23-22-16(24)10-27-13-6-4-3-5-12(13)19/h3-9,18H,2,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyZHVBIRUACKDGFP-UHFFFAOYSA-N
MW414.79 g/mol
LogP3.18
Rot. Bonds8

About N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide

N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide (PubChem CID 9470195) has the molecular formula C18H17ClF2N2O5 and a molecular weight of 414.79 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
PubChem CID9470195
Molecular FormulaC18H17ClF2N2O5
Molecular Weight414.79 g/mol
Exact Mass414.08
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)COc2ccccc2Cl)ccc1OC(F)F
InChIInChI=1S/C18H17ClF2N2O5/c1-2-26-15-9-11(7-8-14(15)28-18(20)21)17(25)23-22-16(24)10-27-13-6-4-3-5-12(13)19/h3-9,18H,2,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyZHVBIRUACKDGFP-UHFFFAOYSA-N
XLogP3.18
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.79
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
CID 9156060
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168127
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide (CID 9470195) is N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide is CCOc1cc(C(=O)NNC(=O)COc2ccccc2Cl)ccc1OC(F)F.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide?
The InChIKey is ZHVBIRUACKDGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O5/c1-2-26-15-9-11(7-8-14(15)28-18(20)21)17(25)23-22-16(24)10-27-13-6-4-3-5-12(13)19/h3-9,18H,2,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide has a molecular weight of 414.79 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide is sourced from PubChem (CID 9470195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).