3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide

C15H18BrFN2O2 — CID 110625264

IUPAC3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide
SMILESO=C(CNC(=O)c1cc(F)cc(Br)c1)NC1CCCCC1
InChIInChI=1S/C15H18BrFN2O2/c16-11-6-10(7-12(17)8-11)15(21)18-9-14(20)19-13-4-2-1-3-5-13/h6-8,13H,1-5,9H2,(H,18,21)(H,19,20)
InChIKeyUJXVERISANXFJV-UHFFFAOYSA-N
MW357.22 g/mol
LogP2.77
Rot. Bonds4

About 3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide

3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide (PubChem CID 110625264) has the molecular formula C15H18BrFN2O2 and a molecular weight of 357.22 g/mol. Its IUPAC name is 3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide
PubChem CID110625264
Molecular FormulaC15H18BrFN2O2
Molecular Weight357.22 g/mol
Exact Mass356.05
IUPAC Name3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide
SMILESO=C(CNC(=O)c1cc(F)cc(Br)c1)NC1CCCCC1
InChIInChI=1S/C15H18BrFN2O2/c16-11-6-10(7-12(17)8-11)15(21)18-9-14(20)19-13-4-2-1-3-5-13/h6-8,13H,1-5,9H2,(H,18,21)(H,19,20)
InChIKeyUJXVERISANXFJV-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclobutylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 91363286
N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 47172514
3-bromo-N-[3-(cyclopropylamino)propyl]-5-fluorobenzamide
CID 43596337
N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide
CID 86796436
N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110625209
2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 112990967
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(difluoromethoxy)-4-fluorobenzamide
CID 71977709
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide
CID 106133673
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63184835
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
3-bromo-N-cyclopentyloxy-5-fluorobenzamide
CID 83202919

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide (CID 110625264) is 3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide is O=C(CNC(=O)c1cc(F)cc(Br)c1)NC1CCCCC1.
What is the InChIKey of 3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide?
The InChIKey is UJXVERISANXFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O2/c16-11-6-10(7-12(17)8-11)15(21)18-9-14(20)19-13-4-2-1-3-5-13/h6-8,13H,1-5,9H2,(H,18,21)(H,19,20).
What are the key properties of 3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide?
3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide has a molecular weight of 357.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide is sourced from PubChem (CID 110625264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).