N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide

C19H17F3N4O4 — CID 24581644

IUPACN-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CO/N=C/C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H17F3N4O4/c1-23-18(29)12-4-2-6-14(8-12)26-17(28)11-30-24-10-16(27)25-15-7-3-5-13(9-15)19(20,21)22/h2-10H,11H2,1H3,(H,23,29)(H,25,27)(H,26,28)/b24-10+
InChIKeyDOSODQLTHPGKKS-YSURURNPSA-N
MW422.36 g/mol
LogP2.64
Rot. Bonds7

About N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide

N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide (PubChem CID 24581644) has the molecular formula C19H17F3N4O4 and a molecular weight of 422.36 g/mol. Its IUPAC name is N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide
PubChem CID24581644
Molecular FormulaC19H17F3N4O4
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC NameN-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CO/N=C/C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H17F3N4O4/c1-23-18(29)12-4-2-6-14(8-12)26-17(28)11-30-24-10-16(27)25-15-7-3-5-13(9-15)19(20,21)22/h2-10H,11H2,1H3,(H,23,29)(H,25,27)(H,26,28)/b24-10+
InChIKeyDOSODQLTHPGKKS-YSURURNPSA-N
XLogP2.64
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7705192
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(E)-[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 6904540
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3456323
N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide
CID 46677751
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide
CID 6892636
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167723
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
3-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 37212825
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
(2E)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide
CID 24606203
[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl] 3-hydroxy-4-methylbenzoate
CID 16576081

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide (CID 24581644) is N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)CO/N=C/C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide?
The InChIKey is DOSODQLTHPGKKS-YSURURNPSA-N. The full InChI is InChI=1S/C19H17F3N4O4/c1-23-18(29)12-4-2-6-14(8-12)26-17(28)11-30-24-10-16(27)25-15-7-3-5-13(9-15)19(20,21)22/h2-10H,11H2,1H3,(H,23,29)(H,25,27)(H,26,28)/b24-10+.
What are the key properties of N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide?
N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide has a molecular weight of 422.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide is sourced from PubChem (CID 24581644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).