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

C15H12BrClN2O — CID 81271371

IUPACN-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C1Cc2ccccc2N1
InChIInChI=1S/C15H12BrClN2O/c16-11-6-5-10(17)8-13(11)19-15(20)14-7-9-3-1-2-4-12(9)18-14/h1-6,8,14,18H,7H2,(H,19,20)
InChIKeyJUZLZIFGCZHQLZ-UHFFFAOYSA-N
MW351.63 g/mol
LogP4.08
Rot. Bonds2

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

N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 81271371) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID81271371
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC NameN-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C1Cc2ccccc2N1
InChIInChI=1S/C15H12BrClN2O/c16-11-6-5-10(17)8-13(11)19-15(20)14-7-9-3-1-2-4-12(9)18-14/h1-6,8,14,18H,7H2,(H,19,20)
InChIKeyJUZLZIFGCZHQLZ-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147929
(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81495794
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
(2S)-N-(2,3-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148394
(2S)-N-(5-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178266
(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61149245
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892616
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892365
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-(4-chloro-3-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887353
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106954312

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 81271371) is N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1cc(Cl)ccc1Br)C1Cc2ccccc2N1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is JUZLZIFGCZHQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c16-11-6-5-10(17)8-13(11)19-15(20)14-7-9-3-1-2-4-12(9)18-14/h1-6,8,14,18H,7H2,(H,19,20).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 351.63 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 81271371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).