2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide

C15H21BrN2O2 — CID 82867398

IUPAC2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide
SMILESCOc1cc(Br)cc(NC(=O)CC2(N)CCCCC2)c1
InChIInChI=1S/C15H21BrN2O2/c1-20-13-8-11(16)7-12(9-13)18-14(19)10-15(17)5-3-2-4-6-15/h7-9H,2-6,10,17H2,1H3,(H,18,19)
InChIKeyVJEOBAACJPMBHK-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.45
Rot. Bonds4

About 2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide

2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide (PubChem CID 82867398) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide
PubChem CID82867398
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide
SMILESCOc1cc(Br)cc(NC(=O)CC2(N)CCCCC2)c1
InChIInChI=1S/C15H21BrN2O2/c1-20-13-8-11(16)7-12(9-13)18-14(19)10-15(17)5-3-2-4-6-15/h7-9H,2-6,10,17H2,1H3,(H,18,19)
InChIKeyVJEOBAACJPMBHK-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide
CID 114222291
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide
CID 82868226
2-(1-aminocyclobutyl)-N-(5-methoxy-2-methylphenyl)acetamide
CID 113266134
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)oxane-4-carboxamide
CID 82868058
2-amino-N-(3-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82868221
2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 79854666
[1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol
CID 82857380
N-(3-bromo-5-methoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 82868476
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
CID 106113513
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide (CID 82867398) is 2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide is COc1cc(Br)cc(NC(=O)CC2(N)CCCCC2)c1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide?
The InChIKey is VJEOBAACJPMBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-20-13-8-11(16)7-12(9-13)18-14(19)10-15(17)5-3-2-4-6-15/h7-9H,2-6,10,17H2,1H3,(H,18,19).
What are the key properties of 2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide?
2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide has a molecular weight of 341.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide is sourced from PubChem (CID 82867398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).