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

C15H12BrFN2O — CID 107625638

IUPACN-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1CNc2ccccc21
InChIInChI=1S/C15H12BrFN2O/c16-12-6-5-9(17)7-14(12)19-15(20)11-8-18-13-4-2-1-3-10(11)13/h1-7,11,18H,8H2,(H,19,20)
InChIKeyVLQUNBZQQVSDQJ-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.74
Rot. Bonds2

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

N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 107625638) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID107625638
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC NameN-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1CNc2ccccc21
InChIInChI=1S/C15H12BrFN2O/c16-12-6-5-9(17)7-14(12)19-15(20)11-8-18-13-4-2-1-3-10(11)13/h1-7,11,18H,8H2,(H,19,20)
InChIKeyVLQUNBZQQVSDQJ-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.74
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-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216
N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565893
N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565871
N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703873
N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567176
N-(2-ethoxyphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566121
N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566409
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563608
N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260736

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 107625638) is N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(Nc1cc(F)ccc1Br)C1CNc2ccccc21.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is VLQUNBZQQVSDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-12-6-5-9(17)7-14(12)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-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 335.18 g/mol, XLogP of 3.74, 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-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 107625638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).