5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide

C21H19ClN2O4 — CID 24578790

IUPAC5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1)c1ccco1
InChIInChI=1S/C21H19ClN2O4/c1-14(18-8-5-11-27-18)23-20(25)13-28-19-10-9-15(22)12-17(19)21(26)24-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeySGLKBYNXVMIKIR-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.44
Rot. Bonds7

About 5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide

5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 24578790) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is 5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
PubChem CID24578790
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1)c1ccco1
InChIInChI=1S/C21H19ClN2O4/c1-14(18-8-5-11-27-18)23-20(25)13-28-19-10-9-15(22)12-17(19)21(26)24-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeySGLKBYNXVMIKIR-UHFFFAOYSA-N
XLogP4.44
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide
CID 24578747
2-(2-chlorophenoxy)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9011821
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230897
2-(4-chloronaphthalen-1-yl)oxy-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9328047
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286441
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55384972
5-chloro-2-[2-(cyclohexylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893364
N-[1-(furan-2-yl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 60594643
5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide
CID 24619082
5-chloro-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-N-phenylbenzamide
CID 24578806
2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 7981027

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide (CID 24578790) is 5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide is CC(NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1)c1ccco1.
What is the InChIKey of 5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is SGLKBYNXVMIKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-14(18-8-5-11-27-18)23-20(25)13-28-19-10-9-15(22)12-17(19)21(26)24-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 398.85 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 24578790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).