1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

C19H20F3N3O2 — CID 109053234

IUPAC1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-25(2)10-9-23-17(26)13-5-3-6-14(11-13)18(27)24-16-8-4-7-15(12-16)19(20,21)22/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDMNQVWHNZSKAEN-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.25
Rot. Bonds6

About 1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 109053234) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
PubChem CID109053234
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-25(2)10-9-23-17(26)13-5-3-6-14(11-13)18(27)24-16-8-4-7-15(12-16)19(20,21)22/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDMNQVWHNZSKAEN-UHFFFAOYSA-N
XLogP3.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109096385
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053236
1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053461
methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053241
1-N-[2-(dimethylamino)ethyl]-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053233
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (CID 109053234) is 1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is CN(C)CCNC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is DMNQVWHNZSKAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-25(2)10-9-23-17(26)13-5-3-6-14(11-13)18(27)24-16-8-4-7-15(12-16)19(20,21)22/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).