4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide

C21H26FN3O3 — CID 43070007

IUPAC4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O3/c1-4-25(5-2)14-16-6-8-17(9-7-16)21(27)24-23-20(26)15(3)28-19-12-10-18(22)11-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVFGGKZRFTXKTFE-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.90
Rot. Bonds8

About 4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide

4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 43070007) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID43070007
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O3/c1-4-25(5-2)14-16-6-8-17(9-7-16)21(27)24-23-20(26)15(3)28-19-12-10-18(22)11-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVFGGKZRFTXKTFE-UHFFFAOYSA-N
XLogP2.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4682218
3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
CID 31720433
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-1-methylurea
CID 86916189
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide (CID 43070007) is 4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide is CCN(CC)Cc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is VFGGKZRFTXKTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-4-25(5-2)14-16-6-8-17(9-7-16)21(27)24-23-20(26)15(3)28-19-12-10-18(22)11-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide has a molecular weight of 387.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 43070007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).