1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C24H19ClF3NO3 — CID 158797173

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1cc(-c2cccc(Cl)c2)cc(C(F)(F)F)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
InChIInChI=1S/C24H17ClF3NO3.H2/c25-18-3-1-2-14(9-18)15-8-17(24(26,27)28)11-19(10-15)29-22(30)23(6-7-23)16-4-5-20-21(12-16)32-13-31-20;/h1-5,8-12H,6-7,13H2,(H,29,30);1H
InChIKeyISZUQQGIRUZBTH-UHFFFAOYSA-N
MW461.87 g/mol
LogP6.67
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158797173) has the molecular formula C24H19ClF3NO3 and a molecular weight of 461.87 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID158797173
Molecular FormulaC24H19ClF3NO3
Molecular Weight461.87 g/mol
Exact Mass461.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1cc(-c2cccc(Cl)c2)cc(C(F)(F)F)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
InChIInChI=1S/C24H17ClF3NO3.H2/c25-18-3-1-2-14(9-18)15-8-17(24(26,27)28)11-19(10-15)29-22(30)23(6-7-23)16-4-5-20-21(12-16)32-13-31-20;/h1-5,8-12H,6-7,13H2,(H,29,30);1H
InChIKeyISZUQQGIRUZBTH-UHFFFAOYSA-N
XLogP6.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.87
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]benzamide
CID 59206914
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-(1,3-benzodioxol-5-yl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159543458
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198749
1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 59165825
1-(1,3-benzodioxol-5-yl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 113198918
N-(3,5-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 113198788
CID 59206260
CID 59206260
N-[3-[4-(aminomethyl)phenyl]-4-chlorophenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159275568
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]ethanone
CID 123538489
1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160769889

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158797173) is 1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is O=C(Nc1cc(-c2cccc(Cl)c2)cc(C(F)(F)F)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is ISZUQQGIRUZBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3NO3.H2/c25-18-3-1-2-14(9-18)15-8-17(24(26,27)28)11-19(10-15)29-22(30)23(6-7-23)16-4-5-20-21(12-16)32-13-31-20;/h1-5,8-12H,6-7,13H2,(H,29,30);1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 461.87 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158797173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).