N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide

C16H15BrN2O — CID 107583383

IUPACN-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C16H15BrN2O/c1-10-6-13(17)9-14(7-10)19-16(20)12-2-3-15-11(8-12)4-5-18-15/h2-3,6-9,18H,4-5H2,1H3,(H,19,20)
InChIKeySFEZVNATJMLMHW-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.98
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 107583383) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID107583383
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C16H15BrN2O/c1-10-6-13(17)9-14(7-10)19-16(20)12-2-3-15-11(8-12)4-5-18-15/h2-3,6-9,18H,4-5H2,1H3,(H,19,20)
InChIKeySFEZVNATJMLMHW-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-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 63334695
N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 114932174
N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938285
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
N-[4-(2-hydroxyethyl)phenyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61237345
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618997
N-pyridin-3-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142430
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618763
N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43142437
N-(1H-indazol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704644

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 107583383) is N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide is Cc1cc(Br)cc(NC(=O)c2ccc3c(c2)CCN3)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is SFEZVNATJMLMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-6-13(17)9-14(7-10)19-16(20)12-2-3-15-11(8-12)4-5-18-15/h2-3,6-9,18H,4-5H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-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-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 107583383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).