4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

C23H22FN3O3 — CID 47839265

IUPAC4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESCN(C)c1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1F
InChIInChI=1S/C23H22FN3O3/c1-27(2)20-13-12-17(14-19(20)24)23(29)26-25-22(28)15-30-21-11-7-6-10-18(21)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCFIZJJBQECSCPC-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.40
Rot. Bonds6

About 4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (PubChem CID 47839265) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
PubChem CID47839265
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESCN(C)c1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1F
InChIInChI=1S/C23H22FN3O3/c1-27(2)20-13-12-17(14-19(20)24)23(29)26-25-22(28)15-30-21-11-7-6-10-18(21)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCFIZJJBQECSCPC-UHFFFAOYSA-N
XLogP3.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.40
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

1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342831
3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 9321776
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
CID 26840576
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-chloro-6-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771931
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
2,4-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 7978365

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (CID 47839265) is 4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is CN(C)c1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1F.
What is the InChIKey of 4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The InChIKey is CFIZJJBQECSCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-27(2)20-13-12-17(14-19(20)24)23(29)26-25-22(28)15-30-21-11-7-6-10-18(21)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide has a molecular weight of 407.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 47839265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).