5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide

C15H16BrFN2O2 — CID 41453654

IUPAC5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(Br)o1)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN2O2/c1-19(2)12(10-3-5-11(17)6-4-10)9-18-15(20)13-7-8-14(16)21-13/h3-8,12H,9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyZQZKFQMHNCMTRM-LBPRGKRZSA-N
MW355.21 g/mol
LogP3.21
Rot. Bonds5

About 5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide

5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide (PubChem CID 41453654) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide
PubChem CID41453654
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(Br)o1)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN2O2/c1-19(2)12(10-3-5-11(17)6-4-10)9-18-15(20)13-7-8-14(16)21-13/h3-8,12H,9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyZQZKFQMHNCMTRM-LBPRGKRZSA-N
XLogP3.21
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
5-bromo-N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-2-carboxamide
CID 40890080
[(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899383
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 7495843
methyl (3S)-3-[(5-bromofuran-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate
CID 51967895
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001623
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 97313575
5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888741
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302878

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide (CID 41453654) is 5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide is CN(C)[C@@H](CNC(=O)c1ccc(Br)o1)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide?
The InChIKey is ZQZKFQMHNCMTRM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-19(2)12(10-3-5-11(17)6-4-10)9-18-15(20)13-7-8-14(16)21-13/h3-8,12H,9H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide has a molecular weight of 355.21 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 41453654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).