2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide

C16H21BrN2O2 — CID 113159568

IUPAC2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C16H21BrN2O2/c1-12(20)19(15-8-3-2-4-9-15)11-16(21)18-14-7-5-6-13(17)10-14/h5-7,10,15H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyDOZXNWBEVRFNBX-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.57
Rot. Bonds4

About 2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide

2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide (PubChem CID 113159568) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide
PubChem CID113159568
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C16H21BrN2O2/c1-12(20)19(15-8-3-2-4-9-15)11-16(21)18-14-7-5-6-13(17)10-14/h5-7,10,15H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyDOZXNWBEVRFNBX-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 113159571
2-[azepan-4-yl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 104979514
2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166396
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1002076
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide (CID 113159568) is 2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of 2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide?
The InChIKey is DOZXNWBEVRFNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-12(20)19(15-8-3-2-4-9-15)11-16(21)18-14-7-5-6-13(17)10-14/h5-7,10,15H,2-4,8-9,11H2,1H3,(H,18,21).
What are the key properties of 2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide?
2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide has a molecular weight of 353.26 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 113159568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).