N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide

C17H23BrN2O2 — CID 113052919

IUPACN-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C17H23BrN2O2/c1-13(21)20(14-7-3-2-4-8-14)12-11-19-17(22)15-9-5-6-10-16(15)18/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,19,22)
InChIKeyKRCXRZNHESUXKI-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.36
Rot. Bonds5

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

N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide (PubChem CID 113052919) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide
PubChem CID113052919
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC NameN-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C17H23BrN2O2/c1-13(21)20(14-7-3-2-4-8-14)12-11-19-17(22)15-9-5-6-10-16(15)18/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,19,22)
InChIKeyKRCXRZNHESUXKI-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316134
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052971
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113052961
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide
CID 113055545
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 55187214
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
2-bromo-N,N-dicyclopentylbenzamide
CID 67873213
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113056706
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide?
The IUPAC name of N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide (CID 113052919) is N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide.
What is the SMILES notation for N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide?
The canonical SMILES for N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide is CC(=O)N(CCNC(=O)c1ccccc1Br)C1CCCCC1.
What is the InChIKey of N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide?
The InChIKey is KRCXRZNHESUXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-13(21)20(14-7-3-2-4-8-14)12-11-19-17(22)15-9-5-6-10-16(15)18/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,19,22).
What are the key properties of N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide?
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide has a molecular weight of 367.29 g/mol, XLogP of 3.36, 5 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-bromobenzamide is sourced from PubChem (CID 113052919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).