3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide

C19H18F3N3O4 — CID 55917606

IUPAC3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)14-6-4-12(5-7-14)18(28)25-9-8-24-16(26)11-29-15-3-1-2-13(10-15)17(23)27/h1-7,10H,8-9,11H2,(H2,23,27)(H,24,26)(H,25,28)
InChIKeyNXQNFBODPCYJRL-UHFFFAOYSA-N
MW409.36 g/mol
LogP1.73
Rot. Bonds8

About 3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide

3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide (PubChem CID 55917606) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is 3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide.

Molecular Properties

Compound Name3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide
PubChem CID55917606
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC Name3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)14-6-4-12(5-7-14)18(28)25-9-8-24-16(26)11-29-15-3-1-2-13(10-15)17(23)27/h1-7,10H,8-9,11H2,(H2,23,27)(H,24,26)(H,25,28)
InChIKeyNXQNFBODPCYJRL-UHFFFAOYSA-N
XLogP1.73
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
CID 60530584
N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545672
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119405880
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 142629548
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide
CID 87024121
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 51108003
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide?
The IUPAC name of 3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide (CID 55917606) is 3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide.
What is the SMILES notation for 3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide?
The canonical SMILES for 3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide is NC(=O)c1cccc(OCC(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide?
The InChIKey is NXQNFBODPCYJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c20-19(21,22)14-6-4-12(5-7-14)18(28)25-9-8-24-16(26)11-29-15-3-1-2-13(10-15)17(23)27/h1-7,10H,8-9,11H2,(H2,23,27)(H,24,26)(H,25,28).
What are the key properties of 3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide?
3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide has a molecular weight of 409.36 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide is sourced from PubChem (CID 55917606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).