3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide

C15H22BrN3O — CID 82809617

IUPAC3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
SMILESCNC1CCC(N(C)c2ccc(C(N)=O)cc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-18-11-4-6-12(7-5-11)19(2)14-8-3-10(15(17)20)9-13(14)16/h3,8-9,11-12,18H,4-7H2,1-2H3,(H2,17,20)
InChIKeyVPHZVPLHLNSCFX-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.51
Rot. Bonds4

About 3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide

3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide (PubChem CID 82809617) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide.

Molecular Properties

Compound Name3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
PubChem CID82809617
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
SMILESCNC1CCC(N(C)c2ccc(C(N)=O)cc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-18-11-4-6-12(7-5-11)19(2)14-8-3-10(15(17)20)9-13(14)16/h3,8-9,11-12,18H,4-7H2,1-2H3,(H2,17,20)
InChIKeyVPHZVPLHLNSCFX-UHFFFAOYSA-N
XLogP2.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide
CID 82808751
4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide
CID 82810072
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462
2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
CID 81279279
3-bromo-4-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarbothioamide
CID 82804612
2,6-dimethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide
CID 81035522
3-bromo-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
CID 82809979
3-bromo-4-[ethyl(pyrrolidin-3-yl)amino]benzamide
CID 82808855
3-bromo-4-[methyl(thiolan-3-yl)amino]benzenecarbothioamide
CID 82804712
6-[methyl-[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxamide
CID 79110424
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide
CID 107174129

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide?
The IUPAC name of 3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide (CID 82809617) is 3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide.
What is the SMILES notation for 3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide?
The canonical SMILES for 3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide is CNC1CCC(N(C)c2ccc(C(N)=O)cc2Br)CC1.
What is the InChIKey of 3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide?
The InChIKey is VPHZVPLHLNSCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-18-11-4-6-12(7-5-11)19(2)14-8-3-10(15(17)20)9-13(14)16/h3,8-9,11-12,18H,4-7H2,1-2H3,(H2,17,20).
What are the key properties of 3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide?
3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide has a molecular weight of 340.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide is sourced from PubChem (CID 82809617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).