4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide

C17H18BrFN2O — CID 41453661

IUPAC4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18BrFN2O/c1-21(2)16(12-5-9-15(19)10-6-12)11-20-17(22)13-3-7-14(18)8-4-13/h3-10,16H,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyRZLGQNXUSRXMTJ-INIZCTEOSA-N
MW365.25 g/mol
LogP3.62
Rot. Bonds5

About 4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide

4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 41453661) has the molecular formula C17H18BrFN2O and a molecular weight of 365.25 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
PubChem CID41453661
Molecular FormulaC17H18BrFN2O
Molecular Weight365.25 g/mol
Exact Mass364.06
IUPAC Name4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18BrFN2O/c1-21(2)16(12-5-9-15(19)10-6-12)11-20-17(22)13-3-7-14(18)8-4-13/h3-10,16H,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyRZLGQNXUSRXMTJ-INIZCTEOSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 41453654
6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 48679016
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 87041831
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 41453630
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
CID 51498217
4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide
CID 155947722
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665731
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide (CID 41453661) is 4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide is CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is RZLGQNXUSRXMTJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18BrFN2O/c1-21(2)16(12-5-9-15(19)10-6-12)11-20-17(22)13-3-7-14(18)8-4-13/h3-10,16H,11H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide?
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 365.25 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 41453661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).