N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide

C18H25BrN2O2 — CID 113052971

IUPACN-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C18H25BrN2O2/c1-14(22)21(16-8-3-2-4-9-16)12-11-20-18(23)13-15-7-5-6-10-17(15)19/h5-7,10,16H,2-4,8-9,11-13H2,1H3,(H,20,23)
InChIKeyRCNKVESPVIHQLI-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.29
Rot. Bonds6

About N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide

N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide (PubChem CID 113052971) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide
PubChem CID113052971
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC NameN-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C18H25BrN2O2/c1-14(22)21(16-8-3-2-4-9-16)12-11-20-18(23)13-15-7-5-6-10-17(15)19/h5-7,10,16H,2-4,8-9,11-13H2,1H3,(H,20,23)
InChIKeyRCNKVESPVIHQLI-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113052961
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide
CID 113052919
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052708
N-[2-[acetyl(cyclopentyl)amino]ethyl]-2-methylpropanamide
CID 113052772
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915
2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride
CID 86813788
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316134

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide?
The IUPAC name of N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide (CID 113052971) is N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccccc1Br)C1CCCCC1.
What is the InChIKey of N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide?
The InChIKey is RCNKVESPVIHQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c1-14(22)21(16-8-3-2-4-9-16)12-11-20-18(23)13-15-7-5-6-10-17(15)19/h5-7,10,16H,2-4,8-9,11-13H2,1H3,(H,20,23).
What are the key properties of N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide?
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide has a molecular weight of 381.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide is sourced from PubChem (CID 113052971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).