N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide

C15H21BrN2O — CID 115150649

IUPACN-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)N(C)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-17-13-8-6-11(7-9-13)15(19)18(2)14-5-3-4-12(16)10-14/h3-5,10-11,13,17H,6-9H2,1-2H3
InChIKeyAQKSQMJRVQJQAU-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.19
Rot. Bonds3

About N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide

N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide (PubChem CID 115150649) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide
PubChem CID115150649
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)N(C)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-17-13-8-6-11(7-9-13)15(19)18(2)14-5-3-4-12(16)10-14/h3-5,10-11,13,17H,6-9H2,1-2H3
InChIKeyAQKSQMJRVQJQAU-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-N-methylcarbamoyl bromide
CID 115193496
4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
N-(3-bromophenyl)-N-methylprop-2-ynamide
CID 130659155
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
4-[methyl-(3-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674140
N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide
CID 62780707
N-(3-bromophenyl)-N,2,2-trimethylpropanamide
CID 172560742
N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide
CID 115177440
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide
CID 115268661
N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 71143845
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide (CID 115150649) is N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide is CNC1CCC(C(=O)N(C)c2cccc(Br)c2)CC1.
What is the InChIKey of N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is AQKSQMJRVQJQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-17-13-8-6-11(7-9-13)15(19)18(2)14-5-3-4-12(16)10-14/h3-5,10-11,13,17H,6-9H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide?
N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 115150649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).