2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide

C16H21BrN2O2 — CID 112990967

IUPAC2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCC(=O)NC1CCCCC1
InChIInChI=1S/C16H21BrN2O2/c17-13-6-4-5-12(9-13)10-15(20)18-11-16(21)19-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H,18,20)(H,19,21)
InChIKeyWFZDOURFLMCEPE-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.56
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide

2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide (PubChem CID 112990967) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
PubChem CID112990967
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCC(=O)NC1CCCCC1
InChIInChI=1S/C16H21BrN2O2/c17-13-6-4-5-12(9-13)10-15(20)18-11-16(21)19-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H,18,20)(H,19,21)
InChIKeyWFZDOURFLMCEPE-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 100698638
N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide
CID 112752910
2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 86812954
2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 112990956
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
CID 114317384
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112990904
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide (CID 112990967) is 2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide is O=C(Cc1cccc(Br)c1)NCC(=O)NC1CCCCC1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
The InChIKey is WFZDOURFLMCEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c17-13-6-4-5-12(9-13)10-15(20)18-11-16(21)19-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H,18,20)(H,19,21).
What are the key properties of 2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide has a molecular weight of 353.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112990967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).