3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide

C18H11BrN2O3 — CID 55978070

IUPAC3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C18H11BrN2O3/c19-16-12-3-1-2-4-13(12)21-17(16)18(23)20-11-6-7-14-10(9-11)5-8-15(22)24-14/h1-9,21H,(H,20,23)
InChIKeyRNPSGYHKSGGQKN-UHFFFAOYSA-N
MW383.20 g/mol
LogP4.29
Rot. Bonds2

About 3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide

3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide (PubChem CID 55978070) has the molecular formula C18H11BrN2O3 and a molecular weight of 383.20 g/mol. Its IUPAC name is 3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
PubChem CID55978070
Molecular FormulaC18H11BrN2O3
Molecular Weight383.20 g/mol
Exact Mass382.00
IUPAC Name3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C18H11BrN2O3/c19-16-12-3-1-2-4-13(12)21-17(16)18(23)20-11-6-7-14-10(9-11)5-8-15(22)24-14/h1-9,21H,(H,20,23)
InChIKeyRNPSGYHKSGGQKN-UHFFFAOYSA-N
XLogP4.29
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 60541866
3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 47212938
N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide
CID 47037294
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide
CID 42506993
2-chloro-N-(2-oxochromen-6-yl)benzamide
CID 965741
N-[1-(1-benzofuran-2-yl)ethyl]-3-bromo-1H-indole-2-carboxamide
CID 55728962
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632
(2-oxochromen-6-yl)carbamic acid
CID 18427920
N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4839577
3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide
CID 112827860
3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide
CID 75417451
3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide
CID 49422928

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide (CID 55978070) is 3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide is O=C(Nc1ccc2oc(=O)ccc2c1)c1[nH]c2ccccc2c1Br.
What is the InChIKey of 3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide?
The InChIKey is RNPSGYHKSGGQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O3/c19-16-12-3-1-2-4-13(12)21-17(16)18(23)20-11-6-7-14-10(9-11)5-8-15(22)24-14/h1-9,21H,(H,20,23).
What are the key properties of 3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide?
3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide has a molecular weight of 383.20 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 55978070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).