2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide

C18H23BrN2O2 — CID 138655724

IUPAC2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide
SMILESCC1(C2CCCC(C(N)=O)C2C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H23BrN2O2/c1-18(9-10-18)14-4-2-3-13(16(20)22)15(14)17(23)21-12-7-5-11(19)6-8-12/h5-8,13-15H,2-4,9-10H2,1H3,(H2,20,22)(H,21,23)
InChIKeyULXIMCZRIHIGDK-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.71
Rot. Bonds4

About 2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide

2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide (PubChem CID 138655724) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide
PubChem CID138655724
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide
SMILESCC1(C2CCCC(C(N)=O)C2C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H23BrN2O2/c1-18(9-10-18)14-4-2-3-13(16(20)22)15(14)17(23)21-12-7-5-11(19)6-8-12/h5-8,13-15H,2-4,9-10H2,1H3,(H2,20,22)(H,21,23)
InChIKeyULXIMCZRIHIGDK-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
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
3-N-(4-bromophenyl)-1-tert-butylbicyclo[2.2.0]hexane-2,3-dicarboxamide
CID 123784150
2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
6-N-(4-bromophenyl)-7-ethyl-4-methylspiro[2.4]heptane-5,6-dicarboxamide
CID 130293886
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide
CID 123785300
(1R,2S,3R,4S)-3-N-(4-iodophenyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 67996336
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-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
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide (CID 138655724) is 2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide is CC1(C2CCCC(C(N)=O)C2C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide?
The InChIKey is ULXIMCZRIHIGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-18(9-10-18)14-4-2-3-13(16(20)22)15(14)17(23)21-12-7-5-11(19)6-8-12/h5-8,13-15H,2-4,9-10H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide?
2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide has a molecular weight of 379.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromophenyl)-3-(1-methylcyclopropyl)cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 138655724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).