7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide

C19H17ClN2O3 — CID 24554019

IUPAC7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C19H17ClN2O3/c20-15-10-14(11-17-18(15)25-12-24-17)19(23)21-7-3-8-22-9-6-13-4-1-2-5-16(13)22/h1-2,4-6,9-11H,3,7-8,12H2,(H,21,23)
InChIKeyBJUMFBOMRFCNJA-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.84
Rot. Bonds5

About 7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide

7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 24554019) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
PubChem CID24554019
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C19H17ClN2O3/c20-15-10-14(11-17-18(15)25-12-24-17)19(23)21-7-3-8-22-9-6-13-4-1-2-5-16(13)22/h1-2,4-6,9-11H,3,7-8,12H2,(H,21,23)
InChIKeyBJUMFBOMRFCNJA-UHFFFAOYSA-N
XLogP3.84
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide
CID 112768654
7-chloro-N-(3-piperazin-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 119394256
N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192639
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
7-chloro-N-[4-(4-methylpiperidin-1-yl)butyl]-1,3-benzodioxole-5-carboxamide
CID 55716363
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
7-chloro-N-(3-quinolin-8-yloxypropyl)-1,3-benzodioxole-5-carboxamide
CID 56534843
N-(2-indol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 71703482
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 51931357
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide (CID 24554019) is 7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide is O=C(NCCCn1ccc2ccccc21)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is BJUMFBOMRFCNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-15-10-14(11-17-18(15)25-12-24-17)19(23)21-7-3-8-22-9-6-13-4-1-2-5-16(13)22/h1-2,4-6,9-11H,3,7-8,12H2,(H,21,23).
What are the key properties of 7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide?
7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 24554019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).