N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide

C15H20BrFN2O — CID 81486052

IUPACN-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
SMILESNCC(NC(=O)c1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C15H20BrFN2O/c16-13-8-11(17)6-7-12(13)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,18H2,(H,19,20)
InChIKeyZECJMXXGDOWISN-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.23
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide

N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide (PubChem CID 81486052) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
PubChem CID81486052
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
SMILESNCC(NC(=O)c1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C15H20BrFN2O/c16-13-8-11(17)6-7-12(13)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,18H2,(H,19,20)
InChIKeyZECJMXXGDOWISN-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide
CID 106737241
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
CID 106737293
N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
CID 106737470
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119590822
N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide
CID 119589312

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide (CID 81486052) is N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide is NCC(NC(=O)c1ccc(F)cc1Br)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide?
The InChIKey is ZECJMXXGDOWISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c16-13-8-11(17)6-7-12(13)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)-2-bromo-4-fluorobenzamide?
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide has a molecular weight of 343.24 g/mol, XLogP of 3.23, 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)-2-bromo-4-fluorobenzamide is sourced from PubChem (CID 81486052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).