1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide

C19H27BrN2O2 — CID 109149942

IUPAC1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)C1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H27BrN2O2/c1-3-4-13-22(2)19(24)15-7-5-14(6-8-15)18(23)21-17-11-9-16(20)10-12-17/h9-12,14-15H,3-8,13H2,1-2H3,(H,21,23)
InChIKeyXNFVXRSLKQDYIC-UHFFFAOYSA-N
MW395.34 g/mol
LogP4.45
Rot. Bonds6

About 1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide

1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide (PubChem CID 109149942) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
PubChem CID109149942
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC Name1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)C1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H27BrN2O2/c1-3-4-13-22(2)19(24)15-7-5-14(6-8-15)18(23)21-17-11-9-16(20)10-12-17/h9-12,14-15H,3-8,13H2,1-2H3,(H,21,23)
InChIKeyXNFVXRSLKQDYIC-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149934
4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149950
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55836292
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149814
ethyl 2-[[4-[butyl(methyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109149984
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
CID 112520991
N-[6-[2-[butyl(methyl)amino]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53175000
4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145333
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide (CID 109149942) is 1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide is CCCCN(C)C(=O)C1CCC(C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide?
The InChIKey is XNFVXRSLKQDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c1-3-4-13-22(2)19(24)15-7-5-14(6-8-15)18(23)21-17-11-9-16(20)10-12-17/h9-12,14-15H,3-8,13H2,1-2H3,(H,21,23).
What are the key properties of 1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide?
1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide has a molecular weight of 395.34 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).