3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide

C21H20N4O4 — CID 54834582

IUPAC3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C21H20N4O4/c22-20(27)14-4-1-7-17(10-14)25-19(26)13-23-16-6-2-5-15(11-16)21(28)24-12-18-8-3-9-29-18/h1-11,23H,12-13H2,(H2,22,27)(H,24,28)(H,25,26)
InChIKeyZTVMZDSXFGMTIY-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.36
Rot. Bonds8

About 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide

3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54834582) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54834582
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C21H20N4O4/c22-20(27)14-4-1-7-17(10-14)25-19(26)13-23-16-6-2-5-15(11-16)21(28)24-12-18-8-3-9-29-18/h1-11,23H,12-13H2,(H2,22,27)(H,24,28)(H,25,26)
InChIKeyZTVMZDSXFGMTIY-UHFFFAOYSA-N
XLogP2.36
TPSA126.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
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-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54809268
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809
N-(furan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833538
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
N-(furan-2-ylmethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841123

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54834582) is 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)c1.
What is the InChIKey of 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is ZTVMZDSXFGMTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c22-20(27)14-4-1-7-17(10-14)25-19(26)13-23-16-6-2-5-15(11-16)21(28)24-12-18-8-3-9-29-18/h1-11,23H,12-13H2,(H2,22,27)(H,24,28)(H,25,26).
What are the key properties of 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide?
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 392.42 g/mol, XLogP of 2.36, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54834582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).