5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide

C15H20BrFN2O — CID 62814715

IUPAC5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1cc(N)c(F)cc1Br)C1CCCCC1
InChIInChI=1S/C15H20BrFN2O/c1-2-19(10-6-4-3-5-7-10)15(20)11-8-14(18)13(17)9-12(11)16/h8-10H,2-7,18H2,1H3
InChIKeyYOWLQAFJQGNBIY-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.97
Rot. Bonds3

About 5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide

5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide (PubChem CID 62814715) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
PubChem CID62814715
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1cc(N)c(F)cc1Br)C1CCCCC1
InChIInChI=1S/C15H20BrFN2O/c1-2-19(10-6-4-3-5-7-10)15(20)11-8-14(18)13(17)9-12(11)16/h8-10H,2-7,18H2,1H3
InChIKeyYOWLQAFJQGNBIY-UHFFFAOYSA-N
XLogP3.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide 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

5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 62816289
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide
CID 62815083
4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
CID 24693418
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide
CID 107020962
5-amino-2-bromo-4-fluoro-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 62815082
5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 62814927
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 62814554
2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 43243374
5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
CID 62816642
5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
CID 62815244
5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 62815067

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide (CID 62814715) is 5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide is CCN(C(=O)c1cc(N)c(F)cc1Br)C1CCCCC1.
What is the InChIKey of 5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide?
The InChIKey is YOWLQAFJQGNBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-2-19(10-6-4-3-5-7-10)15(20)11-8-14(18)13(17)9-12(11)16/h8-10H,2-7,18H2,1H3.
What are the key properties of 5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide?
5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide has a molecular weight of 343.24 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 62814715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).