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

C16H15BrN2O — CID 65312010

IUPAC5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C16H15BrN2O/c1-10-2-3-12(17)9-14(10)16(20)19-13-4-5-15-11(8-13)6-7-18-15/h2-5,8-9,18H,6-7H2,1H3,(H,19,20)
InChIKeyHFEXHXFUHHGECY-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.98
Rot. Bonds2

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

5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide (PubChem CID 65312010) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
PubChem CID65312010
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C16H15BrN2O/c1-10-2-3-12(17)9-14(10)16(20)19-13-4-5-15-11(8-13)6-7-18-15/h2-5,8-9,18H,6-7H2,1H3,(H,19,20)
InChIKeyHFEXHXFUHHGECY-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

5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 65311484
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
CID 81112809
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzamide
CID 63252782
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
2-bromo-5-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 103806053
N-(2,3-dihydro-1H-indol-5-yl)-2-fluoro-5-methylbenzamide
CID 63252982
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
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
CID 65307677
5-chloro-N-(2,3-dihydro-1H-indol-5-yl)furan-2-carboxamide
CID 55168567

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide (CID 65312010) is 5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)CCN2.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide?
The InChIKey is HFEXHXFUHHGECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-2-3-12(17)9-14(10)16(20)19-13-4-5-15-11(8-13)6-7-18-15/h2-5,8-9,18H,6-7H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide?
5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-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 5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 65312010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).