1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide

C19H16N2O3 — CID 58609773

IUPAC1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1=Nc2ccccc2C1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H16N2O3/c22-18(21-17-9-12-3-1-2-4-14(12)20-17)19(7-8-19)13-5-6-15-16(10-13)24-11-23-15/h1-6,10H,7-9,11H2,(H,20,21,22)
InChIKeyWTNSEQVWBOPINY-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.85
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide (PubChem CID 58609773) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide
PubChem CID58609773
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1=Nc2ccccc2C1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H16N2O3/c22-18(21-17-9-12-3-1-2-4-14(12)20-17)19(7-8-19)13-5-6-15-16(10-13)24-11-23-15/h1-6,10H,7-9,11H2,(H,20,21,22)
InChIKeyWTNSEQVWBOPINY-UHFFFAOYSA-N
XLogP2.85
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-Benzodioxol-5-Ylmethyl)-2-(Phenylamino)-4h-Imidazol-4-One
CID 135566559
2-(1,3-benzodioxol-5-yl)-N-[1-[(Z)-[(cyanoamino)-(2-methylanilino)methylidene]amino]-2,2-dimethylpropyl]acetamide
CID 11327640
[(1S,2R)-2-(aminomethyl)-1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone
CID 44449589
1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206548
1-(1,3-benzodioxol-5-yl)-N-(2-fluoro-5-phenylphenyl)cyclopropane-1-carboxamide
CID 59206875
1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]cyclopropane-1-carboxamide
CID 71174436
2-(1,3-benzodioxol-5-yl)-N-[1-[[(cyanoamino)-(2-methylanilino)methylidene]amino]-2,2-dimethylpropyl]acetamide
CID 72802880
N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 134596501
4-tert-butyl-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)benzamide
CID 152871521
N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 157970275
1-(1,3-benzodioxol-5-yl)-N-(4-fluoro-2-methylphenyl)cyclohexane-1-carboxamide
CID 56799249
1-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
CID 75417480

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide (CID 58609773) is 1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide is O=C(NC1=Nc2ccccc2C1)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is WTNSEQVWBOPINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18(21-17-9-12-3-1-2-4-14(12)20-17)19(7-8-19)13-5-6-15-16(10-13)24-11-23-15/h1-6,10H,7-9,11H2,(H,20,21,22).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(3H-indol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 58609773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).