[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate

C17H16ClN3O6 — CID 8871080

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1ccco1)NCC(=O)OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O6/c18-11-3-1-4-12(7-11)21-15(23)10-27-16(24)9-19-14(22)8-20-17(25)13-5-2-6-26-13/h1-7H,8-10H2,(H,19,22)(H,20,25)(H,21,23)
InChIKeyLWAYUWMAZPAIKB-UHFFFAOYSA-N
MW393.78 g/mol
LogP0.96
Rot. Bonds8

About [2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate

[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (PubChem CID 8871080) has the molecular formula C17H16ClN3O6 and a molecular weight of 393.78 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
PubChem CID8871080
Molecular FormulaC17H16ClN3O6
Molecular Weight393.78 g/mol
Exact Mass393.07
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1ccco1)NCC(=O)OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O6/c18-11-3-1-4-12(7-11)21-15(23)10-27-16(24)9-19-14(22)8-20-17(25)13-5-2-6-26-13/h1-7H,8-10H2,(H,19,22)(H,20,25)(H,21,23)
InChIKeyLWAYUWMAZPAIKB-UHFFFAOYSA-N
XLogP0.96
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.78
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate with MolForge

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Related Compounds

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875456
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 2427987
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602170
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875399
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879716
2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875533
(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880275
N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9269646
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548139
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909175

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (CID 8871080) is [2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is O=C(CNC(=O)c1ccco1)NCC(=O)OCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is LWAYUWMAZPAIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O6/c18-11-3-1-4-12(7-11)21-15(23)10-27-16(24)9-19-14(22)8-20-17(25)13-5-2-6-26-13/h1-7H,8-10H2,(H,19,22)(H,20,25)(H,21,23).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 393.78 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 8871080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).