3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C28H23F3N4O4 — CID 54843237

IUPAC3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C28H23F3N4O4/c29-28(30,31)20-5-2-7-23(15-20)35-27(38)19-4-1-6-22(14-19)34-25(36)17-32-21-11-9-18(10-12-21)26(37)33-16-24-8-3-13-39-24/h1-15,32H,16-17H2,(H,33,37)(H,34,36)(H,35,38)
InChIKeyFHVGRLVNVKSKFZ-UHFFFAOYSA-N
MW536.51 g/mol
LogP5.53
Rot. Bonds9

About 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 54843237) has the molecular formula C28H23F3N4O4 and a molecular weight of 536.51 g/mol. Its IUPAC name is 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID54843237
Molecular FormulaC28H23F3N4O4
Molecular Weight536.51 g/mol
Exact Mass536.17
IUPAC Name3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C28H23F3N4O4/c29-28(30,31)20-5-2-7-23(15-20)35-27(38)19-4-1-6-22(14-19)34-25(36)17-32-21-11-9-18(10-12-21)26(37)33-16-24-8-3-13-39-24/h1-15,32H,16-17H2,(H,33,37)(H,34,36)(H,35,38)
InChIKeyFHVGRLVNVKSKFZ-UHFFFAOYSA-N
XLogP5.53
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.51
LogP ≤ 55.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833538
N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842839
4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54843018
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839990
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54843114

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 54843237) is 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FHVGRLVNVKSKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O4/c29-28(30,31)20-5-2-7-23(15-20)35-27(38)19-4-1-6-22(14-19)34-25(36)17-32-21-11-9-18(10-12-21)26(37)33-16-24-8-3-13-39-24/h1-15,32H,16-17H2,(H,33,37)(H,34,36)(H,35,38).
What are the key properties of 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 536.51 g/mol, XLogP of 5.53, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 54843237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).