(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

C16H14Br2N2O — CID 61149245

IUPAC(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)[C@@H]2Cc3ccccc3N2)c(Br)c1
InChIInChI=1S/C16H14Br2N2O/c1-9-6-11(17)15(12(18)7-9)20-16(21)14-8-10-4-2-3-5-13(10)19-14/h2-7,14,19H,8H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyMMLPJWOABLXDIT-AWEZNQCLSA-N
MW410.11 g/mol
LogP4.50
Rot. Bonds2

About (2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61149245) has the molecular formula C16H14Br2N2O and a molecular weight of 410.11 g/mol. Its IUPAC name is (2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61149245
Molecular FormulaC16H14Br2N2O
Molecular Weight410.11 g/mol
Exact Mass407.95
IUPAC Name(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)[C@@H]2Cc3ccccc3N2)c(Br)c1
InChIInChI=1S/C16H14Br2N2O/c1-9-6-11(17)15(12(18)7-9)20-16(21)14-8-10-4-2-3-5-13(10)19-14/h2-7,14,19H,8H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyMMLPJWOABLXDIT-AWEZNQCLSA-N
XLogP4.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(5-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178266
(2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 104985011
N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106954312
(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148995
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81495794
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81271371
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148110
(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147929
(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 62813197

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61149245) is (2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is Cc1cc(Br)c(NC(=O)[C@@H]2Cc3ccccc3N2)c(Br)c1.
What is the InChIKey of (2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is MMLPJWOABLXDIT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14Br2N2O/c1-9-6-11(17)15(12(18)7-9)20-16(21)14-8-10-4-2-3-5-13(10)19-14/h2-7,14,19H,8H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 410.11 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61149245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).