N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide

C20H18N2O4 — CID 53080913

IUPACN-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C20H18N2O4/c23-19(21-15-4-6-17-18(10-15)26-11-25-17)14-3-5-16-13(9-14)7-8-22(16)20(24)12-1-2-12/h3-6,9-10,12H,1-2,7-8,11H2,(H,21,23)
InChIKeySCTCWGSBAFJARQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.97
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 53080913) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
PubChem CID53080913
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C20H18N2O4/c23-19(21-15-4-6-17-18(10-15)26-11-25-17)14-3-5-16-13(9-14)7-8-22(16)20(24)12-1-2-12/h3-6,9-10,12H,1-2,7-8,11H2,(H,21,23)
InChIKeySCTCWGSBAFJARQ-UHFFFAOYSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
CID 53080907
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 27557623
N-cyclopentyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080886
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388536
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 7658024
N-(1,3-benzodioxol-5-yl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide
CID 18777752
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 82258607
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
3-(1,3-benzodioxol-5-yl)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 110623348
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95098722
1-cyclohexyl-3-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]urea
CID 112506054

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide (CID 53080913) is N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)CCN2C(=O)C1CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is SCTCWGSBAFJARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19(21-15-4-6-17-18(10-15)26-11-25-17)14-3-5-16-13(9-14)7-8-22(16)20(24)12-1-2-12/h3-6,9-10,12H,1-2,7-8,11H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 53080913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).