2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide

C16H15BrN2O — CID 81112809

IUPAC2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc3c(c2)CCN3)c1
InChIInChI=1S/C16H15BrN2O/c1-10-2-4-14(17)13(8-10)16(20)19-12-3-5-15-11(9-12)6-7-18-15/h2-5,8-9,18H,6-7H2,1H3,(H,19,20)
InChIKeyAEWRTPLXIRRLIH-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.98
Rot. Bonds2

About 2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide

2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide (PubChem CID 81112809) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
PubChem CID81112809
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc3c(c2)CCN3)c1
InChIInChI=1S/C16H15BrN2O/c1-10-2-4-14(17)13(8-10)16(20)19-12-3-5-15-11(9-12)6-7-18-15/h2-5,8-9,18H,6-7H2,1H3,(H,19,20)
InChIKeyAEWRTPLXIRRLIH-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-2-fluoro-5-methylbenzamide
CID 63252982
2-bromo-5-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 103806053
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzamide
CID 63252782
5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
CID 65312010
2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
CID 119547274
N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 63334695
N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119473855
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 65311484
4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide
CID 63252902
2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide
CID 103806044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide (CID 81112809) is 2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2ccc3c(c2)CCN3)c1.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide?
The InChIKey is AEWRTPLXIRRLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-2-4-14(17)13(8-10)16(20)19-12-3-5-15-11(9-12)6-7-18-15/h2-5,8-9,18H,6-7H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide?
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide has a molecular weight of 331.21 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide is sourced from PubChem (CID 81112809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).