3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

C20H18FN3O3 — CID 54834477

IUPAC3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCc2ccco2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C20H18FN3O3/c21-15-6-8-16(9-7-15)24-19(25)13-22-17-4-1-3-14(11-17)20(26)23-12-18-5-2-10-27-18/h1-11,22H,12-13H2,(H,23,26)(H,24,25)
InChIKeyXMCHQCNHDDDSQH-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.40
Rot. Bonds7

About 3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54834477) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54834477
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCc2ccco2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C20H18FN3O3/c21-15-6-8-16(9-7-15)24-19(25)13-22-17-4-1-3-14(11-17)20(26)23-12-18-5-2-10-27-18/h1-11,22H,12-13H2,(H,23,26)(H,24,25)
InChIKeyXMCHQCNHDDDSQH-UHFFFAOYSA-N
XLogP3.40
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839990
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54809268
3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834424
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551
N-(furan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833538

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54834477) is 3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(CNc1cccc(C(=O)NCc2ccco2)c1)Nc1ccc(F)cc1.
What is the InChIKey of 3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is XMCHQCNHDDDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-15-6-8-16(9-7-15)24-19(25)13-22-17-4-1-3-14(11-17)20(26)23-12-18-5-2-10-27-18/h1-11,22H,12-13H2,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 367.38 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54834477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).