3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide

C18H17BrN2O2 — CID 55663937

IUPAC3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(Br)c2ccccc2n1C
InChIInChI=1S/C18H17BrN2O2/c1-11-8-9-15(23-3)13(10-11)20-18(22)17-16(19)12-6-4-5-7-14(12)21(17)2/h4-10H,1-3H3,(H,20,22)
InChIKeySIHXSKCTXDPAMC-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.51
Rot. Bonds3

About 3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide

3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide (PubChem CID 55663937) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide
PubChem CID55663937
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(Br)c2ccccc2n1C
InChIInChI=1S/C18H17BrN2O2/c1-11-8-9-15(23-3)13(10-11)20-18(22)17-16(19)12-6-4-5-7-14(12)21(17)2/h4-10H,1-3H3,(H,20,22)
InChIKeySIHXSKCTXDPAMC-UHFFFAOYSA-N
XLogP4.51
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204445
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204438
3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide
CID 46435355
4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096938
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727
4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764
4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 17410270
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
N-(2-methoxy-5-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169702
3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide
CID 55932053

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide (CID 55663937) is 3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide is COc1ccc(C)cc1NC(=O)c1c(Br)c2ccccc2n1C.
What is the InChIKey of 3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide?
The InChIKey is SIHXSKCTXDPAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-11-8-9-15(23-3)13(10-11)20-18(22)17-16(19)12-6-4-5-7-14(12)21(17)2/h4-10H,1-3H3,(H,20,22).
What are the key properties of 3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide?
3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 55663937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).