N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide

C18H15ClN2O3 — CID 78864542

IUPACN-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H15ClN2O3/c19-13-7-11(8-16-17(13)24-6-5-23-16)10-20-18(22)15-9-12-3-1-2-4-14(12)21-15/h1-4,7-9,21H,5-6,10H2,(H,20,22)
InChIKeyCNGRXKZQSLXYKF-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.52
Rot. Bonds3

About N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 78864542) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide
PubChem CID78864542
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H15ClN2O3/c19-13-7-11(8-16-17(13)24-6-5-23-16)10-20-18(22)15-9-12-3-1-2-4-14(12)21-15/h1-4,7-9,21H,5-6,10H2,(H,20,22)
InChIKeyCNGRXKZQSLXYKF-UHFFFAOYSA-N
XLogP3.52
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1H-indole-2-carboxylate
CID 7630693
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1H-indole-3-carboxamide
CID 9399062
3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide
CID 78867495
N-(furan-3-ylmethyl)-1H-indole-2-carboxamide
CID 47034241
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]quinoline-4-carboxamide
CID 112821366
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474775
1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]urea
CID 112831749
N-[6-(hydroxymethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]-1H-indole-2-carboxamide
CID 91493318
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-oxo-4-phenylbutanamide
CID 86981002
4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide
CID 112837954
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 112821369
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78867115

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide (CID 78864542) is N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide is O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is CNGRXKZQSLXYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-13-7-11(8-16-17(13)24-6-5-23-16)10-20-18(22)15-9-12-3-1-2-4-14(12)21-15/h1-4,7-9,21H,5-6,10H2,(H,20,22).
What are the key properties of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide?
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 78864542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).