methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate

C22H19ClN2O6 — CID 66877597

IUPACmethyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)Nc1cccc(-c2ccco2)c1
InChIInChI=1S/C22H19ClN2O6/c1-29-22(28)17-11-15(23)7-8-18(17)25-21(27)13-30-12-20(26)24-16-5-2-4-14(10-16)19-6-3-9-31-19/h2-11H,12-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyMFULOXRPMKUXAH-UHFFFAOYSA-N
MW442.86 g/mol
LogP3.98
Rot. Bonds8

About methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate

methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate (PubChem CID 66877597) has the molecular formula C22H19ClN2O6 and a molecular weight of 442.86 g/mol. Its IUPAC name is methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate
PubChem CID66877597
Molecular FormulaC22H19ClN2O6
Molecular Weight442.86 g/mol
Exact Mass442.09
IUPAC Namemethyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)Nc1cccc(-c2ccco2)c1
InChIInChI=1S/C22H19ClN2O6/c1-29-22(28)17-11-15(23)7-8-18(17)25-21(27)13-30-12-20(26)24-16-5-2-4-14(10-16)19-6-3-9-31-19/h2-11H,12-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyMFULOXRPMKUXAH-UHFFFAOYSA-N
XLogP3.98
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.86
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-[2-[3-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]acetyl]amino]-5-chlorobenzoate
CID 66877661
2-[2-(4-chloro-2-methoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 51039954
methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate
CID 11425737
CID 66877598
CID 66877598
methyl 5-chloro-2-[[2-[2-[3-(4-fluorophenyl)anilino]-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 66877283
sodium 5-chloro-2-[[2-[2-[3-(4-fluorophenyl)anilino]-2-oxoethoxy]acetyl]amino]benzoate
CID 66877480
2,4-dichloro-N-[3-(furan-2-yl)phenyl]benzamide
CID 168526277
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid
CID 51040149
N-[4-(furan-2-yl)-2-methoxyphenyl]-2-methoxyacetamide
CID 168524887
methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102655772
methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate (CID 66877597) is methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate is COC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)Nc1cccc(-c2ccco2)c1.
What is the InChIKey of methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate?
The InChIKey is MFULOXRPMKUXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O6/c1-29-22(28)17-11-15(23)7-8-18(17)25-21(27)13-30-12-20(26)24-16-5-2-4-14(10-16)19-6-3-9-31-19/h2-11H,12-13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate?
methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate has a molecular weight of 442.86 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate is sourced from PubChem (CID 66877597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).