3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide

C25H19F3N2O4 — CID 59206914

IUPAC3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H19F3N2O4/c26-25(27,28)18-9-16(14-2-1-3-15(8-14)22(29)31)10-19(11-18)30-23(32)24(6-7-24)17-4-5-20-21(12-17)34-13-33-20/h1-5,8-12H,6-7,13H2,(H2,29,31)(H,30,32)
InChIKeyQFEIATCQADKVLT-UHFFFAOYSA-N
MW468.43 g/mol
LogP4.87
Rot. Bonds5

About 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide

3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 59206914) has the molecular formula C25H19F3N2O4 and a molecular weight of 468.43 g/mol. Its IUPAC name is 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide
PubChem CID59206914
Molecular FormulaC25H19F3N2O4
Molecular Weight468.43 g/mol
Exact Mass468.13
IUPAC Name3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H19F3N2O4/c26-25(27,28)18-9-16(14-2-1-3-15(8-14)22(29)31)10-19(11-18)30-23(32)24(6-7-24)17-4-5-20-21(12-17)34-13-33-20/h1-5,8-12H,6-7,13H2,(H2,29,31)(H,30,32)
InChIKeyQFEIATCQADKVLT-UHFFFAOYSA-N
XLogP4.87
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158797173
1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161163136
4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;molecular hydrogen
CID 158969538
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198749
3-[4-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]benzamide
CID 123474277
CID 59206260
CID 59206260
1-(1,3-benzodioxol-5-yl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159543458
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethoxy)phenyl]-N,N-dimethylbenzamide
CID 59206710
4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide
CID 59256117
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]benzoic acid
CID 59206490
3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-methylphenyl]-N,N-dimethylbenzamide
CID 59206208
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]ethanone
CID 123538489

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide (CID 59206914) is 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide is NC(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QFEIATCQADKVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O4/c26-25(27,28)18-9-16(14-2-1-3-15(8-14)22(29)31)10-19(11-18)30-23(32)24(6-7-24)17-4-5-20-21(12-17)34-13-33-20/h1-5,8-12H,6-7,13H2,(H2,29,31)(H,30,32).
What are the key properties of 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide?
3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 468.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59206914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).