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

C19H27BrN2O2 — CID 109149790

IUPAC4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCC(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C19H27BrN2O2/c1-13(2)11-12-21-18(23)14-7-9-15(10-8-14)19(24)22-17-6-4-3-5-16(17)20/h3-6,13-15H,7-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDOKRZKNMUIPPHX-UHFFFAOYSA-N
MW395.34 g/mol
LogP4.36
Rot. Bonds6

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

4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149790) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149790
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC Name4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCC(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C19H27BrN2O2/c1-13(2)11-12-21-18(23)14-7-9-15(10-8-14)19(24)22-17-6-4-3-5-16(17)20/h3-6,13-15H,7-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDOKRZKNMUIPPHX-UHFFFAOYSA-N
XLogP4.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149770
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
1-N-(2-methoxyethyl)-4-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146508
4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149768
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148148
N-(2-bromophenyl)-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768328
1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139971

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide (CID 109149790) is 4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide is CC(C)CCNC(=O)C1CCC(C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of 4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is DOKRZKNMUIPPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c1-13(2)11-12-21-18(23)14-7-9-15(10-8-14)19(24)22-17-6-4-3-5-16(17)20/h3-6,13-15H,7-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 395.34 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).