1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

C17H23BrN2O2 — CID 109144612

IUPAC1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C17H23BrN2O2/c1-11(2)19-16(21)12-7-9-13(10-8-12)17(22)20-15-6-4-3-5-14(15)18/h3-6,11-13H,7-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIRZPNMBMDOYFNY-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.72
Rot. Bonds4

About 1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109144612) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
PubChem CID109144612
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C17H23BrN2O2/c1-11(2)19-16(21)12-7-9-13(10-8-12)17(22)20-15-6-4-3-5-14(15)18/h3-6,11-13H,7-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIRZPNMBMDOYFNY-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144561
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149790
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
N-(2-bromophenyl)-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768328
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
CID 89186217
CID 89186217

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (CID 109144612) is 1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is CC(C)NC(=O)C1CCC(C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of 1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is IRZPNMBMDOYFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-11(2)19-16(21)12-7-9-13(10-8-12)17(22)20-15-6-4-3-5-14(15)18/h3-6,11-13H,7-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 367.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).