methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate

C22H20ClNO5 — CID 66679964

IUPACmethyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)C(C)(C)Oc1cccc(-c2ccoc2)c1
InChIInChI=1S/C22H20ClNO5/c1-22(2,29-17-6-4-5-14(11-17)15-9-10-28-13-15)21(26)24-19-8-7-16(23)12-18(19)20(25)27-3/h4-13H,1-3H3,(H,24,26)
InChIKeyQBMQAKSIYHFHEZ-UHFFFAOYSA-N
MW413.86 g/mol
LogP5.18
Rot. Bonds6

About methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate

methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate (PubChem CID 66679964) has the molecular formula C22H20ClNO5 and a molecular weight of 413.86 g/mol. Its IUPAC name is methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate
PubChem CID66679964
Molecular FormulaC22H20ClNO5
Molecular Weight413.86 g/mol
Exact Mass413.10
IUPAC Namemethyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)C(C)(C)Oc1cccc(-c2ccoc2)c1
InChIInChI=1S/C22H20ClNO5/c1-22(2,29-17-6-4-5-14(11-17)15-9-10-28-13-15)21(26)24-19-8-7-16(23)12-18(19)20(25)27-3/h4-13H,1-3H3,(H,24,26)
InChIKeyQBMQAKSIYHFHEZ-UHFFFAOYSA-N
XLogP5.18
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.86
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate with MolForge

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Related Compounds

5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoic acid
CID 66680724
methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate
CID 66680441
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
CID 888208
methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate
CID 62832150
methyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-chlorobenzoate
CID 79809249
5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid
CID 66680638
2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide
CID 25236389
5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid
CID 142738111
methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate
CID 66877597
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
methyl 5-chloro-2-[[2-[2-[3-(4-fluorophenyl)anilino]-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 66877283
methyl 5-chloro-2-[(1-methyl-5-phenylindole-2-carbonyl)amino]benzoate
CID 66680418

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate?
The IUPAC name of methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate (CID 66679964) is methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate is COC(=O)c1cc(Cl)ccc1NC(=O)C(C)(C)Oc1cccc(-c2ccoc2)c1.
What is the InChIKey of methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate?
The InChIKey is QBMQAKSIYHFHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO5/c1-22(2,29-17-6-4-5-14(11-17)15-9-10-28-13-15)21(26)24-19-8-7-16(23)12-18(19)20(25)27-3/h4-13H,1-3H3,(H,24,26).
What are the key properties of methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate?
methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate has a molecular weight of 413.86 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate is sourced from PubChem (CID 66679964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).