N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide

C24H21N3O3 — CID 54809082

IUPACN-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
SMILESO=C(CNc1cccc2ccccc12)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H21N3O3/c28-23(16-25-22-12-4-7-17-6-1-2-11-21(17)22)27-19-9-3-8-18(14-19)24(29)26-15-20-10-5-13-30-20/h1-14,25H,15-16H2,(H,26,29)(H,27,28)
InChIKeyXTKLYVWLOXFWIS-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.41
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide

N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide (PubChem CID 54809082) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
PubChem CID54809082
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
SMILESO=C(CNc1cccc2ccccc12)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H21N3O3/c28-23(16-25-22-12-4-7-17-6-1-2-11-21(17)22)27-19-9-3-8-18(14-19)24(29)26-15-20-10-5-13-30-20/h1-14,25H,15-16H2,(H,26,29)(H,27,28)
InChIKeyXTKLYVWLOXFWIS-UHFFFAOYSA-N
XLogP4.41
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-fluoroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54818535
N-(furan-2-ylmethyl)-3-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817531
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637
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-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
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-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834540

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide (CID 54809082) is N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide is O=C(CNc1cccc2ccccc12)Nc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
The InChIKey is XTKLYVWLOXFWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-23(16-25-22-12-4-7-17-6-1-2-11-21(17)22)27-19-9-3-8-18(14-19)24(29)26-15-20-10-5-13-30-20/h1-14,25H,15-16H2,(H,26,29)(H,27,28).
What are the key properties of N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.41, 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-(naphthalen-1-ylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54809082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).