N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide

C16H22BrNO — CID 104985630

IUPACN-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C1(C)CCCCC1
InChIInChI=1S/C16H22BrNO/c1-16(10-4-3-5-11-16)15(19)18(2)12-13-6-8-14(17)9-7-13/h6-9H,3-5,10-12H2,1-2H3
InChIKeyZYKUVZGOJCTSQN-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.38
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide

N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide (PubChem CID 104985630) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
PubChem CID104985630
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C1(C)CCCCC1
InChIInChI=1S/C16H22BrNO/c1-16(10-4-3-5-11-16)15(19)18(2)12-13-6-8-14(17)9-7-13/h6-9H,3-5,10-12H2,1-2H3
InChIKeyZYKUVZGOJCTSQN-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
2-(1-aminocyclopentyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 64683694
2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 104677766
N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130856
N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130855
N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
N,4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 63121399
N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 63131135
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
CID 115441678
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide (CID 104985630) is N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)C1(C)CCCCC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide?
The InChIKey is ZYKUVZGOJCTSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-16(10-4-3-5-11-16)15(19)18(2)12-13-6-8-14(17)9-7-13/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide?
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide has a molecular weight of 324.26 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 104985630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).