N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide

C15H20Br2N2O — CID 107973523

IUPACN-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
SMILESNCC(NC(=O)c1cc(Br)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H20Br2N2O/c16-12-6-11(7-13(17)8-12)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,18H2,(H,19,20)
InChIKeyQILZGKDHKHYJCT-UHFFFAOYSA-N
MW404.15 g/mol
LogP3.85
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide

N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide (PubChem CID 107973523) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
PubChem CID107973523
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
SMILESNCC(NC(=O)c1cc(Br)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H20Br2N2O/c16-12-6-11(7-13(17)8-12)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,18H2,(H,19,20)
InChIKeyQILZGKDHKHYJCT-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide
CID 106737450
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide
CID 65188915
N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
CID 106737293
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide
CID 106737241
N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide
CID 122080658
N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide
CID 103807076
N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 115309213
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119589813
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide (CID 107973523) is N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide is NCC(NC(=O)c1cc(Br)cc(Br)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide?
The InChIKey is QILZGKDHKHYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c16-12-6-11(7-13(17)8-12)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,18H2,(H,19,20).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide?
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide has a molecular weight of 404.15 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide is sourced from PubChem (CID 107973523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).