2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

C21H20FN3O3 — CID 17404436

IUPAC2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H20FN3O3/c1-14-8-9-15(22)11-19(14)25-20(26)13-23-18-7-3-2-6-17(18)21(27)24-12-16-5-4-10-28-16/h2-11,23H,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyDGADZCDVGRFYDG-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.71
Rot. Bonds7

About 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 17404436) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID17404436
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H20FN3O3/c1-14-8-9-15(22)11-19(14)25-20(26)13-23-18-7-3-2-6-17(18)21(27)24-12-16-5-4-10-28-16/h2-11,23H,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyDGADZCDVGRFYDG-UHFFFAOYSA-N
XLogP3.71
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7256849
N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9103530
2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide
CID 55759596
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 38253484
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 9198960
N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 4798851
2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1305982
3-[[2-(2-fluoroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54818535

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 17404436) is 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is Cc1ccc(F)cc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is DGADZCDVGRFYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14-8-9-15(22)11-19(14)25-20(26)13-23-18-7-3-2-6-17(18)21(27)24-12-16-5-4-10-28-16/h2-11,23H,12-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 381.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 17404436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).