2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide

C15H21BrN2O — CID 79714631

IUPAC2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
SMILESCCC1CCCCC1NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H21BrN2O/c1-2-10-5-3-4-6-14(10)18-15(19)12-8-7-11(16)9-13(12)17/h7-10,14H,2-6,17H2,1H3,(H,18,19)
InChIKeyMNIKRLGSJCZQBH-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.73
Rot. Bonds3

About 2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide

2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide (PubChem CID 79714631) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
PubChem CID79714631
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
SMILESCCC1CCCCC1NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H21BrN2O/c1-2-10-5-3-4-6-14(10)18-15(19)12-8-7-11(16)9-13(12)17/h7-10,14H,2-6,17H2,1H3,(H,18,19)
InChIKeyMNIKRLGSJCZQBH-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide
CID 62816831
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
N-(2-ethylcyclohexyl)-4-fluoro-2-hydroxybenzamide
CID 107015155
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
4-bromo-2-[(2-ethylcyclohexyl)amino]benzenecarbothioamide
CID 114902918
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide (CID 79714631) is 2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide is CCC1CCCCC1NC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide?
The InChIKey is MNIKRLGSJCZQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-10-5-3-4-6-14(10)18-15(19)12-8-7-11(16)9-13(12)17/h7-10,14H,2-6,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide?
2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide has a molecular weight of 325.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide is sourced from PubChem (CID 79714631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).