3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide

C19H18F3N3O3 — CID 55450565

IUPAC3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide
SMILESCC1Oc2ccccc2N(CCC(=O)NNc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C19H18F3N3O3/c1-12-18(27)25(15-8-4-5-9-16(15)28-12)11-10-17(26)24-23-14-7-3-2-6-13(14)19(20,21)22/h2-9,12,23H,10-11H2,1H3,(H,24,26)
InChIKeyAHNBAHFGOOQNRT-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.35
Rot. Bonds5

About 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide

3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide (PubChem CID 55450565) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide
PubChem CID55450565
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide
SMILESCC1Oc2ccccc2N(CCC(=O)NNc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C19H18F3N3O3/c1-12-18(27)25(15-8-4-5-9-16(15)28-12)11-10-17(26)24-23-14-7-3-2-6-13(14)19(20,21)22/h2-9,12,23H,10-11H2,1H3,(H,24,26)
InChIKeyAHNBAHFGOOQNRT-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.35
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-(2-(dimethylamino)-4-(trifluoromethyl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
CID 53476470
N-(2,6-Dimethyl-phenyl)-2-(2-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetamide
CID 3224951
4-(4-fluorobenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
CID 3227582
N-(4-fluorobenzyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 3773633
4-[2-(4-Ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 16299176
N-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1-(2-(trifluoromethyl)phenyl)piperidine-4-carboxamide
CID 11704438
2-(2-Methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-phenethyl-acetamide
CID 650231
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 2953033
N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3224950
3-(2,6-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(3-isopropoxypropyl)propanamide
CID 3237158
6-methyl-N-(4-methylbenzyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 3238283

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide?
The IUPAC name of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide (CID 55450565) is 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide.
What is the SMILES notation for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide?
The canonical SMILES for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide is CC1Oc2ccccc2N(CCC(=O)NNc2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide?
The InChIKey is AHNBAHFGOOQNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-12-18(27)25(15-8-4-5-9-16(15)28-12)11-10-17(26)24-23-14-7-3-2-6-13(14)19(20,21)22/h2-9,12,23H,10-11H2,1H3,(H,24,26).
What are the key properties of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide?
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide has a molecular weight of 393.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide is sourced from PubChem (CID 55450565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).