5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C20H14BrF3N2O4 — CID 55776153

IUPAC5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1OCC(F)(F)F)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C20H14BrF3N2O4/c21-17-9-8-16(30-17)19(28)25-13-5-3-4-12(10-13)18(27)26-14-6-1-2-7-15(14)29-11-20(22,23)24/h1-10H,11H2,(H,25,28)(H,26,27)
InChIKeyFWMJODJHFXRPDX-UHFFFAOYSA-N
MW483.24 g/mol
LogP5.49
Rot. Bonds6

About 5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55776153) has the molecular formula C20H14BrF3N2O4 and a molecular weight of 483.24 g/mol. Its IUPAC name is 5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55776153
Molecular FormulaC20H14BrF3N2O4
Molecular Weight483.24 g/mol
Exact Mass482.01
IUPAC Name5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1OCC(F)(F)F)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C20H14BrF3N2O4/c21-17-9-8-16(30-17)19(28)25-13-5-3-4-12(10-13)18(27)26-14-6-1-2-7-15(14)29-11-20(22,23)24/h1-10H,11H2,(H,25,28)(H,26,27)
InChIKeyFWMJODJHFXRPDX-UHFFFAOYSA-N
XLogP5.49
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.24
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55771323
5-bromo-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55851418
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33370284
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55908761
5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 108933256
5-bromo-N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]furan-2-carboxamide
CID 55786874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55776153) is 5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1ccccc1OCC(F)(F)F)c1cccc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is FWMJODJHFXRPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF3N2O4/c21-17-9-8-16(30-17)19(28)25-13-5-3-4-12(10-13)18(27)26-14-6-1-2-7-15(14)29-11-20(22,23)24/h1-10H,11H2,(H,25,28)(H,26,27).
What are the key properties of 5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 483.24 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55776153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).