2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide

C17H24BrFN2O — CID 55848861

IUPAC2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCCC1)Cc1cc(Br)ccc1F
InChIInChI=1S/C17H24BrFN2O/c1-21(11-14-9-15(18)7-8-16(14)19)12-17(22)20-10-13-5-3-2-4-6-13/h7-9,13H,2-6,10-12H2,1H3,(H,20,22)
InChIKeyADCXXMPJSVRROU-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.72
Rot. Bonds6

About 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide

2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide (PubChem CID 55848861) has the molecular formula C17H24BrFN2O and a molecular weight of 371.29 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide
PubChem CID55848861
Molecular FormulaC17H24BrFN2O
Molecular Weight371.29 g/mol
Exact Mass370.11
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCCC1)Cc1cc(Br)ccc1F
InChIInChI=1S/C17H24BrFN2O/c1-21(11-14-9-15(18)7-8-16(14)19)12-17(22)20-10-13-5-3-2-4-6-13/h7-9,13H,2-6,10-12H2,1H3,(H,20,22)
InChIKeyADCXXMPJSVRROU-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
CID 60976730
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide
CID 27098608
methyl 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetate
CID 60670448
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623
2-(5-bromo-2-fluorophenyl)-1-cyclooctylethanone
CID 80602139
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018400
N-(cyclohexylmethyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287227
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide
CID 129377488
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide (CID 55848861) is 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide is CN(CC(=O)NCC1CCCCC1)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide?
The InChIKey is ADCXXMPJSVRROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2O/c1-21(11-14-9-15(18)7-8-16(14)19)12-17(22)20-10-13-5-3-2-4-6-13/h7-9,13H,2-6,10-12H2,1H3,(H,20,22).
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide?
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide has a molecular weight of 371.29 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 55848861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).