5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide

C16H14BrF3N2O3 — CID 26619560

IUPAC5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H14BrF3N2O3/c1-22(9-10-2-4-11(5-3-10)16(18,19)20)14(23)8-21-15(24)12-6-7-13(17)25-12/h2-7H,8-9H2,1H3,(H,21,24)
InChIKeyKVUYLLHIPOMZNU-UHFFFAOYSA-N
MW419.20 g/mol
LogP3.45
Rot. Bonds5

About 5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 26619560) has the molecular formula C16H14BrF3N2O3 and a molecular weight of 419.20 g/mol. Its IUPAC name is 5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID26619560
Molecular FormulaC16H14BrF3N2O3
Molecular Weight419.20 g/mol
Exact Mass418.01
IUPAC Name5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H14BrF3N2O3/c1-22(9-10-2-4-11(5-3-10)16(18,19)20)14(23)8-21-15(24)12-6-7-13(17)25-12/h2-7H,8-9H2,1H3,(H,21,24)
InChIKeyKVUYLLHIPOMZNU-UHFFFAOYSA-N
XLogP3.45
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9162495
5-bromo-N-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 75467426
5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 17480140
5-bromo-N-methyl-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55788964
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9417539
5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47263424
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
5-bromo-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 64510329
5-bromo-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27781128
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 115760620
5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 55707431

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 26619560) is 5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is KVUYLLHIPOMZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3N2O3/c1-22(9-10-2-4-11(5-3-10)16(18,19)20)14(23)8-21-15(24)12-6-7-13(17)25-12/h2-7H,8-9H2,1H3,(H,21,24).
What are the key properties of 5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 419.20 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 26619560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).