3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

C21H20ClN3O3 — CID 54834815

IUPAC3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCc2ccco2)c1)NCc1ccccc1Cl
InChIInChI=1S/C21H20ClN3O3/c22-19-9-2-1-5-16(19)12-24-20(26)14-23-17-7-3-6-15(11-17)21(27)25-13-18-8-4-10-28-18/h1-11,23H,12-14H2,(H,24,26)(H,25,27)
InChIKeyGROLXYKSRGZPTQ-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.59
Rot. Bonds8

About 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54834815) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54834815
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCc2ccco2)c1)NCc1ccccc1Cl
InChIInChI=1S/C21H20ClN3O3/c22-19-9-2-1-5-16(19)12-24-20(26)14-23-17-7-3-6-15(11-17)21(27)25-13-18-8-4-10-28-18/h1-11,23H,12-14H2,(H,24,26)(H,25,27)
InChIKeyGROLXYKSRGZPTQ-UHFFFAOYSA-N
XLogP3.59
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54809268
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838983
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834747
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
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
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54834815) is 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(CNc1cccc(C(=O)NCc2ccco2)c1)NCc1ccccc1Cl.
What is the InChIKey of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is GROLXYKSRGZPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c22-19-9-2-1-5-16(19)12-24-20(26)14-23-17-7-3-6-15(11-17)21(27)25-13-18-8-4-10-28-18/h1-11,23H,12-14H2,(H,24,26)(H,25,27).
What are the key properties of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 397.86 g/mol, XLogP of 3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54834815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).