N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide

C21H25F2N3O4 — CID 9156060

IUPACN'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(N(CC)CC)cc2)ccc1OC(F)F
InChIInChI=1S/C21H25F2N3O4/c1-4-26(5-2)16-10-7-14(8-11-16)19(27)24-25-20(28)15-9-12-17(30-21(22)23)18(13-15)29-6-3/h7-13,21H,4-6H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYZBAMGLEQIWTBD-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.61
Rot. Bonds9

About N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide

N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide (PubChem CID 9156060) has the molecular formula C21H25F2N3O4 and a molecular weight of 421.44 g/mol. Its IUPAC name is N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
PubChem CID9156060
Molecular FormulaC21H25F2N3O4
Molecular Weight421.44 g/mol
Exact Mass421.18
IUPAC NameN'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(N(CC)CC)cc2)ccc1OC(F)F
InChIInChI=1S/C21H25F2N3O4/c1-4-26(5-2)16-10-7-14(8-11-16)19(27)24-25-20(28)15-9-12-17(30-21(22)23)18(13-15)29-6-3/h7-13,21H,4-6H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYZBAMGLEQIWTBD-UHFFFAOYSA-N
XLogP3.61
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.61
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

4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
CID 9470195
1-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9477836
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 24649811
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8752340
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219582

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide?
The IUPAC name of N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide (CID 9156060) is N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide.
What is the SMILES notation for N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide?
The canonical SMILES for N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide is CCOc1cc(C(=O)NNC(=O)c2ccc(N(CC)CC)cc2)ccc1OC(F)F.
What is the InChIKey of N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide?
The InChIKey is YZBAMGLEQIWTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O4/c1-4-26(5-2)16-10-7-14(8-11-16)19(27)24-25-20(28)15-9-12-17(30-21(22)23)18(13-15)29-6-3/h7-13,21H,4-6H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide?
N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide has a molecular weight of 421.44 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide is sourced from PubChem (CID 9156060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).