3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide

C18H23BrN2O2 — CID 123784150

IUPAC3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide
SMILESCC(C)(C)C12CCC1C(C(=O)Nc1ccc(Br)cc1)C2C(N)=O
InChIInChI=1S/C18H23BrN2O2/c1-17(2,3)18-9-8-12(18)13(14(18)15(20)22)16(23)21-11-6-4-10(19)5-7-11/h4-7,12-14H,8-9H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyVZUCIUCMWYRUGY-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.56
Rot. Bonds3

About 3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide

3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide (PubChem CID 123784150) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide
PubChem CID123784150
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide
SMILESCC(C)(C)C12CCC1C(C(=O)Nc1ccc(Br)cc1)C2C(N)=O
InChIInChI=1S/C18H23BrN2O2/c1-17(2,3)18-9-8-12(18)13(14(18)15(20)22)16(23)21-11-6-4-10(19)5-7-11/h4-7,12-14H,8-9H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyVZUCIUCMWYRUGY-UHFFFAOYSA-N
XLogP3.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,3R,4S)-3-N-(4-bromophenyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 123688836
2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide
CID 138655724
6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide
CID 130293886
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-cyclopropylspiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495242
(1S,8S)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 950516
(1R,2S,3R,4S)-3-N-(4-methylsulfanylphenyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67995859
N-(4-bromophenyl)-3-cyanospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carboxamide
CID 58580363
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
(1R,2S,3R,4S)-3-N-(4-iodophenyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 67996336
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
(4-bromophenyl)urea
CID 16074
trans-(1S,3R)-3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 7315021

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide?
The IUPAC name of 3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide (CID 123784150) is 3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide?
The canonical SMILES for 3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide is CC(C)(C)C12CCC1C(C(=O)Nc1ccc(Br)cc1)C2C(N)=O.
What is the InChIKey of 3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide?
The InChIKey is VZUCIUCMWYRUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-17(2,3)18-9-8-12(18)13(14(18)15(20)22)16(23)21-11-6-4-10(19)5-7-11/h4-7,12-14H,8-9H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide?
3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide has a molecular weight of 379.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide is sourced from PubChem (CID 123784150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).