N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide

C16H15BrN2O — CID 107625093

IUPACN-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide
SMILESCc1c(Br)cccc1NC(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C16H15BrN2O/c1-10-13(17)3-2-4-14(10)19-16(20)12-6-5-11-7-8-18-15(11)9-12/h2-6,9,18H,7-8H2,1H3,(H,19,20)
InChIKeyPSGLBFKFXPPFPP-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.98
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide

N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide (PubChem CID 107625093) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide
PubChem CID107625093
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide
SMILESCc1c(Br)cccc1NC(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C16H15BrN2O/c1-10-13(17)3-2-4-14(10)19-16(20)12-6-5-11-7-8-18-15(11)9-12/h2-6,9,18H,7-8H2,1H3,(H,19,20)
InChIKeyPSGLBFKFXPPFPP-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-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938285
N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 107600018
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 143229213
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
CID 107640531
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 63334695
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-6-carboxamide
CID 104618381
N-(2-chlorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325613
N-(3-bromo-2-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637308
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide (CID 107625093) is N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide is Cc1c(Br)cccc1NC(=O)c1ccc2c(c1)NCC2.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide?
The InChIKey is PSGLBFKFXPPFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-13(17)3-2-4-14(10)19-16(20)12-6-5-11-7-8-18-15(11)9-12/h2-6,9,18H,7-8H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide?
N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide 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 N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-6-carboxamide is sourced from PubChem (CID 107625093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).