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

C16H13BrN2O — CID 65309477

IUPAC5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H13BrN2O/c1-10-2-3-12(17)9-14(10)16(20)19-13-4-5-15-11(8-13)6-7-18-15/h2-9,18H,1H3,(H,19,20)
InChIKeyRDQFZWAXANLUPP-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.49
Rot. Bonds2

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

5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide (PubChem CID 65309477) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide
PubChem CID65309477
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H13BrN2O/c1-10-2-3-12(17)9-14(10)16(20)19-13-4-5-15-11(8-13)6-7-18-15/h2-9,18H,1H3,(H,19,20)
InChIKeyRDQFZWAXANLUPP-UHFFFAOYSA-N
XLogP4.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(1H-indazol-5-yl)-2-methylbenzamide
CID 65311684
2-bromo-4-chloro-N-(1H-indol-5-yl)benzamide
CID 103763682
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 65311641
2-bromo-5-fluoro-N-(1H-indol-5-yl)benzamide
CID 60865687
2,4-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571914
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
CID 65307677
2-amino-4-chloro-N-(1H-indol-5-yl)benzamide
CID 63110093
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
CID 65312010

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide (CID 65309477) is 5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide?
The InChIKey is RDQFZWAXANLUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-10-2-3-12(17)9-14(10)16(20)19-13-4-5-15-11(8-13)6-7-18-15/h2-9,18H,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide?
5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide has a molecular weight of 329.20 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-indol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 65309477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).