N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide

C21H21N3O3 — CID 54810881

IUPACN-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
SMILESCc1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C21H21N3O3/c1-15-5-2-7-17(11-15)22-14-20(25)24-18-8-3-6-16(12-18)21(26)23-13-19-9-4-10-27-19/h2-12,22H,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyOGIGAIPSSOZUDD-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.57
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide

N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide (PubChem CID 54810881) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
PubChem CID54810881
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
SMILESCc1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C21H21N3O3/c1-15-5-2-7-17(11-15)22-14-20(25)24-18-8-3-6-16(12-18)21(26)23-13-19-9-4-10-27-19/h2-12,22H,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyOGIGAIPSSOZUDD-UHFFFAOYSA-N
XLogP3.57
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839990
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54809268
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254
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

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide (CID 54810881) is N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide is Cc1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
The InChIKey is OGIGAIPSSOZUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-5-2-7-17(11-15)22-14-20(25)24-18-8-3-6-16(12-18)21(26)23-13-19-9-4-10-27-19/h2-12,22H,13-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54810881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).