1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

C20H22F3N3O2 — CID 109053461

IUPAC1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H22F3N3O2/c1-26(2)12-4-11-24-18(27)14-5-3-6-15(13-14)19(28)25-17-9-7-16(8-10-17)20(21,22)23/h3,5-10,13H,4,11-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYDJPXEKFKZREDR-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.64
Rot. Bonds7

About 1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 109053461) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
PubChem CID109053461
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H22F3N3O2/c1-26(2)12-4-11-24-18(27)14-5-3-6-15(13-14)19(28)25-17-9-7-16(8-10-17)20(21,22)23/h3,5-10,13H,4,11-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYDJPXEKFKZREDR-UHFFFAOYSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 109053436
2-N-[3-(dimethylamino)propyl]-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109084104
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234
1-N-[3-(dimethylamino)propyl]-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053455
1-[3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896244
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109053413
3-N-(1,3-benzodioxol-5-yl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053473
N-[4-[3-(dimethylamino)propylcarbamoyl]phenyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid
CID 44968111
4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109083508
methyl 4-[[4-[3-(dimethylamino)propylcarbamoyl]benzoyl]amino]benzoate
CID 109046051
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109168255

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (CID 109053461) is 1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is CN(C)CCCNC(=O)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is YDJPXEKFKZREDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-26(2)12-4-11-24-18(27)14-5-3-6-15(13-14)19(28)25-17-9-7-16(8-10-17)20(21,22)23/h3,5-10,13H,4,11-12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).