N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide

C18H15F2N3O5 — CID 7978485

IUPACN'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1OC(F)F
InChIInChI=1S/C18H15F2N3O5/c1-26-15-8-12(4-7-14(15)28-18(19)20)17(25)23-22-16(24)10-27-13-5-2-11(9-21)3-6-13/h2-8,18H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyFYJVSZCYIRAGBF-UHFFFAOYSA-N
MW391.33 g/mol
LogP2.01
Rot. Bonds7

About N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide

N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide (PubChem CID 7978485) has the molecular formula C18H15F2N3O5 and a molecular weight of 391.33 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
PubChem CID7978485
Molecular FormulaC18H15F2N3O5
Molecular Weight391.33 g/mol
Exact Mass391.10
IUPAC NameN'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1OC(F)F
InChIInChI=1S/C18H15F2N3O5/c1-26-15-8-12(4-7-14(15)28-18(19)20)17(25)23-22-16(24)10-27-13-5-2-11(9-21)3-6-13/h2-8,18H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyFYJVSZCYIRAGBF-UHFFFAOYSA-N
XLogP2.01
TPSA109.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide
CID 24635798
N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655569
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
CID 2453941
N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]-3,4-dimethoxybenzohydrazide
CID 2435971
3-(difluoromethoxy)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7719984
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9418020
4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7970230
1-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-3-(4-methoxyphenyl)thiourea
CID 1000420
2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 17424738

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide (CID 7978485) is N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide is COc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1OC(F)F.
What is the InChIKey of N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide?
The InChIKey is FYJVSZCYIRAGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O5/c1-26-15-8-12(4-7-14(15)28-18(19)20)17(25)23-22-16(24)10-27-13-5-2-11(9-21)3-6-13/h2-8,18H,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide?
N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide has a molecular weight of 391.33 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide is sourced from PubChem (CID 7978485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).