1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide

C19H27BrN2O2 — CID 109149632

IUPAC1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NC(C)(C)C)CC2)c(Br)c1
InChIInChI=1S/C19H27BrN2O2/c1-12-5-10-16(15(20)11-12)21-17(23)13-6-8-14(9-7-13)18(24)22-19(2,3)4/h5,10-11,13-14H,6-9H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyAVLINCASBFSYEG-UHFFFAOYSA-N
MW395.34 g/mol
LogP4.42
Rot. Bonds3

About 1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide

1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide (PubChem CID 109149632) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
PubChem CID109149632
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC Name1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NC(C)(C)C)CC2)c(Br)c1
InChIInChI=1S/C19H27BrN2O2/c1-12-5-10-16(15(20)11-12)21-17(23)13-6-8-14(9-7-13)18(24)22-19(2,3)4/h5,10-11,13-14H,6-9H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyAVLINCASBFSYEG-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149567
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737103
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
tert-butyl 3-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554272
N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108805686
N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113008292
N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583701
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide (CID 109149632) is 1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide is Cc1ccc(NC(=O)C2CCC(C(=O)NC(C)(C)C)CC2)c(Br)c1.
What is the InChIKey of 1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide?
The InChIKey is AVLINCASBFSYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c1-12-5-10-16(15(20)11-12)21-17(23)13-6-8-14(9-7-13)18(24)22-19(2,3)4/h5,10-11,13-14H,6-9H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide?
1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide has a molecular weight of 395.34 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).