N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C15H12BrFN2O — CID 103997721

IUPACN-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H12BrFN2O/c16-12-3-4-14(13(17)6-12)19-15(20)9-1-2-10-7-18-8-11(10)5-9/h1-6,18H,7-8H2,(H,19,20)
InChIKeyUXDYMWWZQOQXNQ-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.44
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103997721) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103997721
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H12BrFN2O/c16-12-3-4-14(13(17)6-12)19-15(20)9-1-2-10-7-18-8-11(10)5-9/h1-6,18H,7-8H2,(H,19,20)
InChIKeyUXDYMWWZQOQXNQ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999166
N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49156312
N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997882
N-(2-bromo-4-cyanophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998397
N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997885
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 62151121
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-isoindol-5-yl)ethanone
CID 116613117
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
CID 61090837
N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532914
N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215688
N-(4-bromo-2-fluorophenyl)-1H-indazole-6-carboxamide
CID 60716242

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103997721) is N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is UXDYMWWZQOQXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-12-3-4-14(13(17)6-12)19-15(20)9-1-2-10-7-18-8-11(10)5-9/h1-6,18H,7-8H2,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 335.18 g/mol, XLogP of 3.44, 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-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103997721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).