propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate

C22H19Cl2NO4 — CID 18808872

IUPACpropyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)oc2C)cc1
InChIInChI=1S/C22H19Cl2NO4/c1-3-8-28-22(27)14-4-6-18(7-5-14)25-21(26)19-12-20(29-13(19)2)15-9-16(23)11-17(24)10-15/h4-7,9-12H,3,8H2,1-2H3,(H,25,26)
InChIKeyZHDGUAYGNOCJPI-UHFFFAOYSA-N
MW432.30 g/mol
LogP6.38
Rot. Bonds6

About propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate

propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate (PubChem CID 18808872) has the molecular formula C22H19Cl2NO4 and a molecular weight of 432.30 g/mol. Its IUPAC name is propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
PubChem CID18808872
Molecular FormulaC22H19Cl2NO4
Molecular Weight432.30 g/mol
Exact Mass431.07
IUPAC Namepropyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)oc2C)cc1
InChIInChI=1S/C22H19Cl2NO4/c1-3-8-28-22(27)14-4-6-18(7-5-14)25-21(26)19-12-20(29-13(19)2)15-9-16(23)11-17(24)10-15/h4-7,9-12H,3,8H2,1-2H3,(H,25,26)
InChIKeyZHDGUAYGNOCJPI-UHFFFAOYSA-N
XLogP6.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.30
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate
CID 16650811
butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
CID 16650686
butyl 4-[[5-(4-fluorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16650910
N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18808826
propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate
CID 23938061
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate
CID 19240947
methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 2145557
propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate
CID 26864988
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide
CID 2215470

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
The IUPAC name of propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate (CID 18808872) is propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
The canonical SMILES for propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)oc2C)cc1.
What is the InChIKey of propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
The InChIKey is ZHDGUAYGNOCJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO4/c1-3-8-28-22(27)14-4-6-18(7-5-14)25-21(26)19-12-20(29-13(19)2)15-9-16(23)11-17(24)10-15/h4-7,9-12H,3,8H2,1-2H3,(H,25,26).
What are the key properties of propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate has a molecular weight of 432.30 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate is sourced from PubChem (CID 18808872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).