4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

C17H23BrN2O2 — CID 109144381

IUPAC4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H23BrN2O2/c1-2-11-19-16(21)12-3-5-13(6-4-12)17(22)20-15-9-7-14(18)8-10-15/h7-10,12-13H,2-6,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyCJRNUIYPRIHCAO-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.72
Rot. Bonds5

About 4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (PubChem CID 109144381) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
PubChem CID109144381
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H23BrN2O2/c1-2-11-19-16(21)12-3-5-13(6-4-12)17(22)20-15-9-7-14(18)8-10-15/h7-10,12-13H,2-6,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyCJRNUIYPRIHCAO-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145333
4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144346
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149942
N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
CID 112520991
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973
1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109145210

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (CID 109144381) is 4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is CCCNC(=O)C1CCC(C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The InChIKey is CJRNUIYPRIHCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-2-11-19-16(21)12-3-5-13(6-4-12)17(22)20-15-9-7-14(18)8-10-15/h7-10,12-13H,2-6,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide has a molecular weight of 367.29 g/mol, XLogP of 3.72, 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-propylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).