methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate

C17H18ClNO5 — CID 168911909

IUPACmethyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H18ClNO5/c1-17(2,3)24-16(21)19-14-12(15(20)22-4)9-13(23-14)10-5-7-11(18)8-6-10/h5-9H,1-4H3,(H,19,21)
InChIKeyIVABJUZZYGJGMC-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.73
Rot. Bonds3

About methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate

methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate (PubChem CID 168911909) has the molecular formula C17H18ClNO5 and a molecular weight of 351.79 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate
PubChem CID168911909
Molecular FormulaC17H18ClNO5
Molecular Weight351.79 g/mol
Exact Mass351.09
IUPAC Namemethyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H18ClNO5/c1-17(2,3)24-16(21)19-14-12(15(20)22-4)9-13(23-14)10-5-7-11(18)8-6-10/h5-9H,1-4H3,(H,19,21)
InChIKeyIVABJUZZYGJGMC-UHFFFAOYSA-N
XLogP4.73
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate
CID 162346378
3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid
CID 16655147
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 69368154
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate
CID 67551871
methyl 2-methoxy-5-(4-methoxyphenyl)furan-3-carboxylate
CID 10038329
5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
CID 2757211
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
3,5-dichloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 7022994
methyl 2-iodo-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 121396611
methyl 5-(4-chlorophenyl)-1-methylpyrrole-2-carboxylate
CID 117223101

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate (CID 168911909) is methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)oc1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate?
The InChIKey is IVABJUZZYGJGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5/c1-17(2,3)24-16(21)19-14-12(15(20)22-4)9-13(23-14)10-5-7-11(18)8-6-10/h5-9H,1-4H3,(H,19,21).
What are the key properties of methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate?
methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate has a molecular weight of 351.79 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate is sourced from PubChem (CID 168911909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).