N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide

C15H18BrNO2 — CID 115150434

IUPACN-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1CNC(=O)C1CCC(=O)CC1
InChIInChI=1S/C15H18BrNO2/c1-10-2-5-13(16)8-12(10)9-17-15(19)11-3-6-14(18)7-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19)
InChIKeyUYPZQBSZZUALQQ-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.13
Rot. Bonds3

About N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide

N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide (PubChem CID 115150434) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide
PubChem CID115150434
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1CNC(=O)C1CCC(=O)CC1
InChIInChI=1S/C15H18BrNO2/c1-10-2-5-13(16)8-12(10)9-17-15(19)11-3-6-14(18)7-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19)
InChIKeyUYPZQBSZZUALQQ-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115150582
N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162022
N-[(5-bromo-2-methylphenyl)methyl]-3-oxobutanamide
CID 115176428
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide
CID 115150493
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
CID 67195679
ethyl 3-[(5-bromo-2-methylphenyl)methylamino]-3-oxopropanoate
CID 115138564
4-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674132
4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115155319
N-[[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanecarboxamide
CID 140923254
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide (CID 115150434) is N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide is Cc1ccc(Br)cc1CNC(=O)C1CCC(=O)CC1.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide?
The InChIKey is UYPZQBSZZUALQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-10-2-5-13(16)8-12(10)9-17-15(19)11-3-6-14(18)7-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19).
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide?
N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 115150434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).