6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide

C18H23BrN2O2 — CID 130293886

IUPAC6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide
SMILESCCC1C(C(=O)Nc2ccc(Br)cc2)C(C(N)=O)C(C)C12CC2
InChIInChI=1S/C18H23BrN2O2/c1-3-13-15(14(16(20)22)10(2)18(13)8-9-18)17(23)21-12-6-4-11(19)5-7-12/h4-7,10,13-15H,3,8-9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyOGJDGVANYOPDTC-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.56
Rot. Bonds4

About 6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide

6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide (PubChem CID 130293886) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide
PubChem CID130293886
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide
SMILESCCC1C(C(=O)Nc2ccc(Br)cc2)C(C(N)=O)C(C)C12CC2
InChIInChI=1S/C18H23BrN2O2/c1-3-13-15(14(16(20)22)10(2)18(13)8-9-18)17(23)21-12-6-4-11(19)5-7-12/h4-7,10,13-15H,3,8-9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyOGJDGVANYOPDTC-UHFFFAOYSA-N
XLogP3.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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
3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide
CID 123784150
3,4,4-trimethyl-1-N-(4-methylsulfanylphenyl)-5-propylcyclopentane-1,2-dicarboxamide
CID 155196227
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-cyclopropylspiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495242
N'-[[(1R,2R,3R,4S)-3-[(4-bromophenyl)carbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]butanediamide
CID 67495025
(1S,2R,3R,4R)-2-N-(4-aminobutyl)-3-N-(4-bromophenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67496407
(1R,2S,3R,4S)-3-N-(4-methylsulfanylphenyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67995859
(1R,2R,3R,4S)-2-N-[4-(aminomethyl)cyclohexyl]-3-N-(4-bromophenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495697
N-(4-bromophenyl)-3-cyanospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carboxamide
CID 58580363
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-[3-(dimethylamino)-3-oxopropyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495181
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(3-methoxypropyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495743

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide?
The IUPAC name of 6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide (CID 130293886) is 6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide.
What is the SMILES notation for 6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide?
The canonical SMILES for 6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide is CCC1C(C(=O)Nc2ccc(Br)cc2)C(C(N)=O)C(C)C12CC2.
What is the InChIKey of 6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide?
The InChIKey is OGJDGVANYOPDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-3-13-15(14(16(20)22)10(2)18(13)8-9-18)17(23)21-12-6-4-11(19)5-7-12/h4-7,10,13-15H,3,8-9H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide?
6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide has a molecular weight of 379.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide is sourced from PubChem (CID 130293886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).