2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide

C25H24F3N3O3 — CID 134219270

IUPAC2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)N(N)CC1(COc2ccccc2)CC1
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)34-20-9-6-17(7-10-20)18-8-11-22(29)21(14-18)23(32)31(30)15-24(12-13-24)16-33-19-4-2-1-3-5-19/h1-11,14H,12-13,15-16,29-30H2
InChIKeyUWTCAQBPLSHFPC-UHFFFAOYSA-N
MW471.48 g/mol
LogP5.01
Rot. Bonds8

About 2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide

2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide (PubChem CID 134219270) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is 2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide.

Molecular Properties

Compound Name2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
PubChem CID134219270
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC Name2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)N(N)CC1(COc2ccccc2)CC1
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)34-20-9-6-17(7-10-20)18-8-11-22(29)21(14-18)23(32)31(30)15-24(12-13-24)16-33-19-4-2-1-3-5-19/h1-11,14H,12-13,15-16,29-30H2
InChIKeyUWTCAQBPLSHFPC-UHFFFAOYSA-N
XLogP5.01
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.48
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
The IUPAC name of 2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide (CID 134219270) is 2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide.
What is the SMILES notation for 2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
The canonical SMILES for 2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide is Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)N(N)CC1(COc2ccccc2)CC1.
What is the InChIKey of 2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
The InChIKey is UWTCAQBPLSHFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c26-25(27,28)34-20-9-6-17(7-10-20)18-8-11-22(29)21(14-18)23(32)31(30)15-24(12-13-24)16-33-19-4-2-1-3-5-19/h1-11,14H,12-13,15-16,29-30H2.
What are the key properties of 2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide has a molecular weight of 471.48 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide is sourced from PubChem (CID 134219270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).