2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide

C16H23BrN2O2 — CID 61168560

IUPAC2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide
SMILESCOCc1c(Br)cccc1NCC(=O)NC1CCCCC1
InChIInChI=1S/C16H23BrN2O2/c1-21-11-13-14(17)8-5-9-15(13)18-10-16(20)19-12-6-3-2-4-7-12/h5,8-9,12,18H,2-4,6-7,10-11H2,1H3,(H,19,20)
InChIKeyKYKPEWBKNLVNML-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.46
Rot. Bonds6

About 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide

2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide (PubChem CID 61168560) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide
PubChem CID61168560
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide
SMILESCOCc1c(Br)cccc1NCC(=O)NC1CCCCC1
InChIInChI=1S/C16H23BrN2O2/c1-21-11-13-14(17)8-5-9-15(13)18-10-16(20)19-12-6-3-2-4-7-12/h5,8-9,12,18H,2-4,6-7,10-11H2,1H3,(H,19,20)
InChIKeyKYKPEWBKNLVNML-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide
CID 61165998
N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide
CID 34067869
2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
CID 61063574
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
5-[[3-bromo-2-(methoxymethyl)anilino]methyl]oxolane-2-carboxylic acid
CID 103242770
1-[[3-bromo-2-(methoxymethyl)anilino]methyl]cycloheptan-1-ol
CID 61167751
N-cyclohexyl-2-(2,6-difluoroanilino)acetamide
CID 28879040
butyl 2-[3-bromo-2-(methoxymethyl)anilino]acetate
CID 61166195
3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline
CID 64624414
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 86930985

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide?
The IUPAC name of 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide (CID 61168560) is 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide is COCc1c(Br)cccc1NCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide?
The InChIKey is KYKPEWBKNLVNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-21-11-13-14(17)8-5-9-15(13)18-10-16(20)19-12-6-3-2-4-7-12/h5,8-9,12,18H,2-4,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide?
2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide has a molecular weight of 355.28 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide is sourced from PubChem (CID 61168560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).