N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide

C21H21BrN2O2 — CID 24789440

IUPACN-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C21H21BrN2O2/c22-15-9-11-16(12-10-15)23-20(25)18-8-4-5-14-13-24(21(26)19(14)18)17-6-2-1-3-7-17/h4-5,8-12,17H,1-3,6-7,13H2,(H,23,25)
InChIKeyOBZSUDNSOHNQIA-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.99
Rot. Bonds3

About N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide

N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 24789440) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
PubChem CID24789440
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC NameN-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C21H21BrN2O2/c22-15-9-11-16(12-10-15)23-20(25)18-8-4-5-14-13-24(21(26)19(14)18)17-6-2-1-3-7-17/h4-5,8-12,17H,1-3,6-7,13H2,(H,23,25)
InChIKeyOBZSUDNSOHNQIA-UHFFFAOYSA-N
XLogP4.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (CID 24789440) is N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1cccc2c1C(=O)N(C1CCCCC1)C2.
What is the InChIKey of N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is OBZSUDNSOHNQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c22-15-9-11-16(12-10-15)23-20(25)18-8-4-5-14-13-24(21(26)19(14)18)17-6-2-1-3-7-17/h4-5,8-12,17H,1-3,6-7,13H2,(H,23,25).
What are the key properties of N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 413.32 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 24789440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).