1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen

C25H22N2O3 — CID 159372797

IUPAC1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1ccc2[nH]cc(-c3ccccc3)c2c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
InChIInChI=1S/C25H20N2O3.H2/c28-24(25(10-11-25)17-6-9-22-23(12-17)30-15-29-22)27-18-7-8-21-19(13-18)20(14-26-21)16-4-2-1-3-5-16;/h1-9,12-14,26H,10-11,15H2,(H,27,28);1H
InChIKeyLJYHDRMSBMSERW-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.48
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159372797) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID159372797
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1ccc2[nH]cc(-c3ccccc3)c2c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
InChIInChI=1S/C25H20N2O3.H2/c28-24(25(10-11-25)17-6-9-22-23(12-17)30-15-29-22)27-18-7-8-21-19(13-18)20(14-26-21)16-4-2-1-3-5-16;/h1-9,12-14,26H,10-11,15H2,(H,27,28);1H
InChIKeyLJYHDRMSBMSERW-UHFFFAOYSA-N
XLogP5.48
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
1-(1,3-benzodioxol-5-yl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159543458
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206062
5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzene-1,3-dicarboxylic acid;molecular hydrogen
CID 161430344
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-methylbenzoic acid;molecular hydrogen
CID 161340639
1-(1,3-benzodioxol-5-yl)-N-[3-methyl-4-(3-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159905939
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206051
N-[3-[4-(aminomethyl)phenyl]-4-chlorophenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159275568
1-(1,3-benzodioxol-5-yl)-N-[3-(4-hydroxyphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206865
1-(1,3-benzodioxol-5-yl)-N-[4-ethyl-3-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 59206486
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(1H-pyrrol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 59207041

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen (CID 159372797) is 1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen is O=C(Nc1ccc2[nH]cc(-c3ccccc3)c2c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is LJYHDRMSBMSERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3.H2/c28-24(25(10-11-25)17-6-9-22-23(12-17)30-15-29-22)27-18-7-8-21-19(13-18)20(14-26-21)16-4-2-1-3-5-16;/h1-9,12-14,26H,10-11,15H2,(H,27,28);1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 398.46 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 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-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159372797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).