4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide

C22H19F2N3O7 — CID 46672369

IUPAC4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC(F)F
InChIInChI=1S/C22H19F2N3O7/c1-12(33-15-8-7-13-5-3-4-6-14(13)9-15)20(28)25-26-21(29)16-10-18(32-2)19(34-22(23)24)11-17(16)27(30)31/h3-12,22H,1-2H3,(H,25,28)(H,26,29)
InChIKeyZTKZXFDMHYLFDU-UHFFFAOYSA-N
MW475.40 g/mol
LogP3.59
Rot. Bonds8

About 4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide

4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide (PubChem CID 46672369) has the molecular formula C22H19F2N3O7 and a molecular weight of 475.40 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide
PubChem CID46672369
Molecular FormulaC22H19F2N3O7
Molecular Weight475.40 g/mol
Exact Mass475.12
IUPAC Name4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC(F)F
InChIInChI=1S/C22H19F2N3O7/c1-12(33-15-8-7-13-5-3-4-6-14(13)9-15)20(28)25-26-21(29)16-10-18(32-2)19(34-22(23)24)11-17(16)27(30)31/h3-12,22H,1-2H3,(H,25,28)(H,26,29)
InChIKeyZTKZXFDMHYLFDU-UHFFFAOYSA-N
XLogP3.59
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide
CID 17397142
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624
4-(difluoromethoxy)-N'-[2-(4-fluorophenyl)acetyl]-5-methoxy-2-nitrobenzohydrazide
CID 34569772
4-(difluoromethoxy)-5-methoxy-N-[2-(2-methylpropanoylamino)ethyl]-2-nitrobenzamide
CID 24666454
4-(difluoromethoxy)-5-methoxy-2-nitro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 42158088
4-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)-2-nitrobenzamide
CID 46516267
(2R)-2-[[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]amino]-4-methylpentanoic acid
CID 119364709
N-[(4-chlorophenyl)-phenylmethyl]-4-(difluoromethoxy)-5-methoxy-2-nitrobenzamide
CID 46547937
[2-(4-methoxyanilino)-2-oxoethyl] 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoate
CID 41407102
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide
CID 9160118
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoate
CID 46675924
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoate
CID 41407382

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide?
The IUPAC name of 4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide (CID 46672369) is 4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide.
What is the SMILES notation for 4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide?
The canonical SMILES for 4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide is COc1cc(C(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide?
The InChIKey is ZTKZXFDMHYLFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O7/c1-12(33-15-8-7-13-5-3-4-6-14(13)9-15)20(28)25-26-21(29)16-10-18(32-2)19(34-22(23)24)11-17(16)27(30)31/h3-12,22H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide?
4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide has a molecular weight of 475.40 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide is sourced from PubChem (CID 46672369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).