4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide

C14H20BrN3O — CID 82808751

IUPAC4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide
SMILESCN(c1ccc(C(N)=O)cc1Br)C1CCC(N)CC1
InChIInChI=1S/C14H20BrN3O/c1-18(11-5-3-10(16)4-6-11)13-7-2-9(14(17)19)8-12(13)15/h2,7-8,10-11H,3-6,16H2,1H3,(H2,17,19)
InChIKeyWNPRDMAIJIJBRZ-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.25
Rot. Bonds3

About 4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide

4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide (PubChem CID 82808751) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide
PubChem CID82808751
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide
SMILESCN(c1ccc(C(N)=O)cc1Br)C1CCC(N)CC1
InChIInChI=1S/C14H20BrN3O/c1-18(11-5-3-10(16)4-6-11)13-7-2-9(14(17)19)8-12(13)15/h2,7-8,10-11H,3-6,16H2,1H3,(H2,17,19)
InChIKeyWNPRDMAIJIJBRZ-UHFFFAOYSA-N
XLogP2.25
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
CID 82809617
4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide
CID 82810072
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462
3-bromo-4-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarbothioamide
CID 82804612
2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide
CID 79115109
3-bromo-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarbothioamide
CID 82804752
3-bromo-4-[ethyl(pyrrolidin-3-yl)amino]benzamide
CID 82808855
3-bromo-4-[methyl(thiolan-3-yl)amino]benzenecarbothioamide
CID 82804712
3-bromo-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
CID 82799753
4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide
CID 107174129
4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide
CID 82809011
4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide
CID 82789401

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide?
The IUPAC name of 4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide (CID 82808751) is 4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide.
What is the SMILES notation for 4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide?
The canonical SMILES for 4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide is CN(c1ccc(C(N)=O)cc1Br)C1CCC(N)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide?
The InChIKey is WNPRDMAIJIJBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18(11-5-3-10(16)4-6-11)13-7-2-9(14(17)19)8-12(13)15/h2,7-8,10-11H,3-6,16H2,1H3,(H2,17,19).
What are the key properties of 4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide?
4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide has a molecular weight of 326.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide is sourced from PubChem (CID 82808751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).