N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide

C19H18F3N3O2 — CID 3105090

IUPACN'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCC(CCc1ccccc1)=NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O2/c1-13(10-11-14-6-3-2-4-7-14)24-25-18(27)17(26)23-16-9-5-8-15(12-16)19(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,26)(H,25,27)
InChIKeyWFAZSOSBTFMTSG-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.77
Rot. Bonds5

About N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide

N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 3105090) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID3105090
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCC(CCc1ccccc1)=NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O2/c1-13(10-11-14-6-3-2-4-7-14)24-25-18(27)17(26)23-16-9-5-8-15(12-16)19(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,26)(H,25,27)
InChIKeyWFAZSOSBTFMTSG-UHFFFAOYSA-N
XLogP3.77
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide
CID 4007590
N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 4583432
1-(3-phenylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 17371957
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837317
N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501318
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90534599
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
3-(formylhydrazinylidene)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 3396370

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide (CID 3105090) is N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide is CC(CCc1ccccc1)=NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is WFAZSOSBTFMTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-13(10-11-14-6-3-2-4-7-14)24-25-18(27)17(26)23-16-9-5-8-15(12-16)19(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide?
N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 377.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 3105090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).