3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide

C23H14ClF3N2O4 — CID 16817556

IUPAC3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C23H14ClF3N2O4/c24-17-7-3-1-5-15(17)21(30)29-19-16-6-2-4-8-18(16)32-20(19)22(31)28-13-9-11-14(12-10-13)33-23(25,26)27/h1-12H,(H,28,31)(H,29,30)
InChIKeyYMXFOVJLJFUKTK-UHFFFAOYSA-N
MW474.82 g/mol
LogP6.49
Rot. Bonds5

About 3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide

3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 16817556) has the molecular formula C23H14ClF3N2O4 and a molecular weight of 474.82 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
PubChem CID16817556
Molecular FormulaC23H14ClF3N2O4
Molecular Weight474.82 g/mol
Exact Mass474.06
IUPAC Name3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C23H14ClF3N2O4/c24-17-7-3-1-5-15(17)21(30)29-19-16-6-2-4-8-18(16)32-20(19)22(31)28-13-9-11-14(12-10-13)33-23(25,26)27/h1-12H,(H,28,31)(H,29,30)
InChIKeyYMXFOVJLJFUKTK-UHFFFAOYSA-N
XLogP6.49
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.82
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 16817560
3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 41106040
N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 7957155
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 16814568
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159647
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide (CID 16817556) is 3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12)c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is YMXFOVJLJFUKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N2O4/c24-17-7-3-1-5-15(17)21(30)29-19-16-6-2-4-8-18(16)32-20(19)22(31)28-13-9-11-14(12-10-13)33-23(25,26)27/h1-12H,(H,28,31)(H,29,30).
What are the key properties of 3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 474.82 g/mol, XLogP of 6.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16817556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).