2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid

C17H22BrNO6 — CID 171154743

IUPAC2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid
SMILESCC1CCCCC1NC(=O)COc1ccc(Br)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H20BrNO2.C2H2O4/c1-11-4-2-3-5-14(11)17-15(18)10-19-13-8-6-12(16)7-9-13;3-1(4)2(5)6/h6-9,11,14H,2-5,10H2,1H3,(H,17,18);(H,3,4)(H,5,6)
InChIKeyBJNBCXJQATWWGN-UHFFFAOYSA-N
MW416.27 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid

2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid (PubChem CID 171154743) has the molecular formula C17H22BrNO6 and a molecular weight of 416.27 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid
PubChem CID171154743
Molecular FormulaC17H22BrNO6
Molecular Weight416.27 g/mol
Exact Mass415.06
IUPAC Name2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid
SMILESCC1CCCCC1NC(=O)COc1ccc(Br)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H20BrNO2.C2H2O4/c1-11-4-2-3-5-14(11)17-15(18)10-19-13-8-6-12(16)7-9-13;3-1(4)2(5)6/h6-9,11,14H,2-5,10H2,1H3,(H,17,18);(H,3,4)(H,5,6)
InChIKeyBJNBCXJQATWWGN-UHFFFAOYSA-N
XLogP2.68
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798457
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
2-(4-bromophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575570
N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9253004
2-(3,4-difluorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7707055
2-(3,5-dimethylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2712790
2-(3,5-dimethylphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2712787
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
2-(4-bromo-2-formylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7819987
2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7819985
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149554

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid (CID 171154743) is 2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid is CC1CCCCC1NC(=O)COc1ccc(Br)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid?
The InChIKey is BJNBCXJQATWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2.C2H2O4/c1-11-4-2-3-5-14(11)17-15(18)10-19-13-8-6-12(16)7-9-13;3-1(4)2(5)6/h6-9,11,14H,2-5,10H2,1H3,(H,17,18);(H,3,4)(H,5,6).
What are the key properties of 2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid?
2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid has a molecular weight of 416.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid is sourced from PubChem (CID 171154743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).