N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide

C15H12BrClN2O — CID 80565893

IUPACN-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C1CNc2ccccc21
InChIInChI=1S/C15H12BrClN2O/c16-9-5-6-14(12(17)7-9)19-15(20)11-8-18-13-4-2-1-3-10(11)13/h1-7,11,18H,8H2,(H,19,20)
InChIKeyOODVVCNYUBDXNW-UHFFFAOYSA-N
MW351.63 g/mol
LogP4.25
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide

N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80565893) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80565893
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC NameN-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C1CNc2ccccc21
InChIInChI=1S/C15H12BrClN2O/c16-9-5-6-14(12(17)7-9)19-15(20)11-8-18-13-4-2-1-3-10(11)13/h1-7,11,18H,8H2,(H,19,20)
InChIKeyOODVVCNYUBDXNW-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107611758
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107625638
N-(2-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567176
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216
N-[1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563668
(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
(3S)-N-(4-bromo-2-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896096
N-(2-ethoxyphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566121
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
(4-bromo-2-chlorophenyl)urea
CID 60759349

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80565893) is N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(Nc1ccc(Br)cc1Cl)C1CNc2ccccc21.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is OODVVCNYUBDXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c16-9-5-6-14(12(17)7-9)19-15(20)11-8-18-13-4-2-1-3-10(11)13/h1-7,11,18H,8H2,(H,19,20).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 351.63 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80565893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).