5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide

C16H23BrN2O2 — CID 115297279

IUPAC5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
SMILESNc1ccc(Br)c(C(=O)NCCCOC2CCCCC2)c1
InChIInChI=1S/C16H23BrN2O2/c17-15-8-7-12(18)11-14(15)16(20)19-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10,18H2,(H,19,20)
InChIKeyYNOYXFIXRVXPTJ-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.50
Rot. Bonds6

About 5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide

5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide (PubChem CID 115297279) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
PubChem CID115297279
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
SMILESNc1ccc(Br)c(C(=O)NCCCOC2CCCCC2)c1
InChIInChI=1S/C16H23BrN2O2/c17-15-8-7-12(18)11-14(15)16(20)19-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10,18H2,(H,19,20)
InChIKeyYNOYXFIXRVXPTJ-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503
2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide
CID 61150115
2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide
CID 26549820
2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
CID 65349877
4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide
CID 31719944
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448
5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296492

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide (CID 115297279) is 5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide is Nc1ccc(Br)c(C(=O)NCCCOC2CCCCC2)c1.
What is the InChIKey of 5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide?
The InChIKey is YNOYXFIXRVXPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c17-15-8-7-12(18)11-14(15)16(20)19-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10,18H2,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide?
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide has a molecular weight of 355.28 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide is sourced from PubChem (CID 115297279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).