2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide

C18H17BrN2O — CID 4123208

IUPAC2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3ccccc3Br)ccc2n1C
InChIInChI=1S/C18H17BrN2O/c1-12-9-14-10-13(7-8-17(14)21(12)2)11-20-18(22)15-5-3-4-6-16(15)19/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyVUDPDAQJWZZRGT-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.18
Rot. Bonds3

About 2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide

2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide (PubChem CID 4123208) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
PubChem CID4123208
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC Name2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3ccccc3Br)ccc2n1C
InChIInChI=1S/C18H17BrN2O/c1-12-9-14-10-13(7-8-17(14)21(12)2)11-20-18(22)15-5-3-4-6-16(15)19/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyVUDPDAQJWZZRGT-UHFFFAOYSA-N
XLogP4.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide (CID 4123208) is 2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide is Cc1cc2cc(CNC(=O)c3ccccc3Br)ccc2n1C.
What is the InChIKey of 2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide?
The InChIKey is VUDPDAQJWZZRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c1-12-9-14-10-13(7-8-17(14)21(12)2)11-20-18(22)15-5-3-4-6-16(15)19/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide?
2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide has a molecular weight of 357.25 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide is sourced from PubChem (CID 4123208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).