6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide

C18H17BrN2O2 — CID 55566139

IUPAC6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C18H17BrN2O2/c1-2-9-23-17-6-4-3-5-14(17)21-18(22)16-10-12-7-8-13(19)11-15(12)20-16/h3-8,10-11,20H,2,9H2,1H3,(H,21,22)
InChIKeyVYFAZJHHQIWPQC-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.97
Rot. Bonds5

About 6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide

6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide (PubChem CID 55566139) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide
PubChem CID55566139
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C18H17BrN2O2/c1-2-9-23-17-6-4-3-5-14(17)21-18(22)16-10-12-7-8-13(19)11-15(12)20-16/h3-8,10-11,20H,2,9H2,1H3,(H,21,22)
InChIKeyVYFAZJHHQIWPQC-UHFFFAOYSA-N
XLogP4.97
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propoxyphenyl)-1H-indole-2-carboxamide
CID 51145976
N-(2-ethoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207367
6-bromo-N-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 47155114
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130
6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide
CID 159678407
6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 60555509
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 39499154
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide (CID 55566139) is 6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide is CCCOc1ccccc1NC(=O)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is VYFAZJHHQIWPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-2-9-23-17-6-4-3-5-14(17)21-18(22)16-10-12-7-8-13(19)11-15(12)20-16/h3-8,10-11,20H,2,9H2,1H3,(H,21,22).
What are the key properties of 6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide?
6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 55566139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).