methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate

C17H18Cl2N2O4 — CID 10156896

IUPACmethyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate
SMILESCOC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl2N2O4/c1-17(2,3)12-8-11(14(25-12)15(22)24-4)21-16(23)20-10-7-5-6-9(18)13(10)19/h5-8H,1-4H3,(H2,20,21,23)
InChIKeyVIENLGCYYZNARY-UHFFFAOYSA-N
MW385.25 g/mol
LogP5.31
Rot. Bonds3

About methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate

methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate (PubChem CID 10156896) has the molecular formula C17H18Cl2N2O4 and a molecular weight of 385.25 g/mol. Its IUPAC name is methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate
PubChem CID10156896
Molecular FormulaC17H18Cl2N2O4
Molecular Weight385.25 g/mol
Exact Mass384.06
IUPAC Namemethyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate
SMILESCOC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl2N2O4/c1-17(2,3)12-8-11(14(25-12)15(22)24-4)21-16(23)20-10-7-5-6-9(18)13(10)19/h5-8H,1-4H3,(H2,20,21,23)
InChIKeyVIENLGCYYZNARY-UHFFFAOYSA-N
XLogP5.31
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate
CID 1296628
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 34067227
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoate
CID 3702816
1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
CID 4526657
N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108966056
1-[5-tert-butyl-2-(oxolan-3-yloxy)phenyl]-3-(2,3-dichlorophenyl)urea
CID 10047904
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
N-(2,3-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958900

Frequently Asked Questions

What is the IUPAC name of methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate?
The IUPAC name of methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate (CID 10156896) is methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate.
What is the SMILES notation for methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate?
The canonical SMILES for methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate is COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate?
The InChIKey is VIENLGCYYZNARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4/c1-17(2,3)12-8-11(14(25-12)15(22)24-4)21-16(23)20-10-7-5-6-9(18)13(10)19/h5-8H,1-4H3,(H2,20,21,23).
What are the key properties of methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate?
methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate has a molecular weight of 385.25 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate is sourced from PubChem (CID 10156896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).