3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide

C18H20FN3O3 — CID 38796379

IUPAC3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FN3O3/c1-22(2)15-5-3-4-13(12-15)18(24)21-20-17(23)10-11-25-16-8-6-14(19)7-9-16/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyBMHOMNAXVSYWMC-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.12
Rot. Bonds6

About 3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide

3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 38796379) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID38796379
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FN3O3/c1-22(2)15-5-3-4-13(12-15)18(24)21-20-17(23)10-11-25-16-8-6-14(19)7-9-16/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyBMHOMNAXVSYWMC-UHFFFAOYSA-N
XLogP2.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
CID 30486316
3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
CID 95180097
3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 26184762
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
3-(dimethylamino)-N'-[3-(3-methoxyphenyl)propanoyl]benzohydrazide
CID 34409132
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 8880057
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
CID 27605742
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
CID 7732785

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide (CID 38796379) is 3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide is CN(C)c1cccc(C(=O)NNC(=O)CCOc2ccc(F)cc2)c1.
What is the InChIKey of 3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is BMHOMNAXVSYWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-22(2)15-5-3-4-13(12-15)18(24)21-20-17(23)10-11-25-16-8-6-14(19)7-9-16/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide?
3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide has a molecular weight of 345.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 38796379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).