4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide

C18H25BrN2O2 — CID 109145333

IUPAC4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H25BrN2O2/c1-12(2)11-20-17(22)13-3-5-14(6-4-13)18(23)21-16-9-7-15(19)8-10-16/h7-10,12-14H,3-6,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYKPBMNUKQBHHHW-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.97
Rot. Bonds5

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

4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145333) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145333
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC Name4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H25BrN2O2/c1-12(2)11-20-17(22)13-3-5-14(6-4-13)18(23)21-16-9-7-15(19)8-10-16/h7-10,12-14H,3-6,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYKPBMNUKQBHHHW-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145328
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
CID 112520991
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002779
N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide
CID 82262388
1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145347
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide (CID 109145333) is 4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide is CC(C)CNC(=O)C1CCC(C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is YKPBMNUKQBHHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c1-12(2)11-20-17(22)13-3-5-14(6-4-13)18(23)21-16-9-7-15(19)8-10-16/h7-10,12-14H,3-6,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 381.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).