(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide

C15H13BrN2O2 — CID 81495794

IUPAC(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H13BrN2O2/c16-10-5-3-7-12(14(10)19)18-15(20)13-8-9-4-1-2-6-11(9)17-13/h1-7,13,17,19H,8H2,(H,18,20)/t13-/m0/s1
InChIKeyZYMUKIRBJUZDSO-ZDUSSCGKSA-N
MW333.19 g/mol
LogP3.13
Rot. Bonds2

About (2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 81495794) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is (2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID81495794
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H13BrN2O2/c16-10-5-3-7-12(14(10)19)18-15(20)13-8-9-4-1-2-6-11(9)17-13/h1-7,13,17,19H,8H2,(H,18,20)/t13-/m0/s1
InChIKeyZYMUKIRBJUZDSO-ZDUSSCGKSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 81497243
(2S)-N-(2,3-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148394
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81271371
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892616
N-(3-hydroxy-2,4-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887740
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-(5-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178266
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 166772337
methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861590
(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61149245
N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106954312
N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567402

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 81495794) is (2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1cccc(Br)c1O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is ZYMUKIRBJUZDSO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-10-5-3-7-12(14(10)19)18-15(20)13-8-9-4-1-2-6-11(9)17-13/h1-7,13,17,19H,8H2,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 81495794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).