methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate

C19H13Cl2NO5 — CID 2814404

IUPACmethyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C19H13Cl2NO5/c1-25-19(24)14-4-2-3-5-15(14)22-18(23)16-6-7-17(27-16)26-13-9-11(20)8-12(21)10-13/h2-10H,1H3,(H,22,23)
InChIKeyNRUANCRRUFJXIG-UHFFFAOYSA-N
MW406.22 g/mol
LogP5.42
Rot. Bonds5

About methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate

methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate (PubChem CID 2814404) has the molecular formula C19H13Cl2NO5 and a molecular weight of 406.22 g/mol. Its IUPAC name is methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate
PubChem CID2814404
Molecular FormulaC19H13Cl2NO5
Molecular Weight406.22 g/mol
Exact Mass405.02
IUPAC Namemethyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C19H13Cl2NO5/c1-25-19(24)14-4-2-3-5-15(14)22-18(23)16-6-7-17(27-16)26-13-9-11(20)8-12(21)10-13/h2-10H,1H3,(H,22,23)
InChIKeyNRUANCRRUFJXIG-UHFFFAOYSA-N
XLogP5.42
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.22
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 728836
methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 2145557
methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate
CID 3641679
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391617
methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207589

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate (CID 2814404) is methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate?
The InChIKey is NRUANCRRUFJXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO5/c1-25-19(24)14-4-2-3-5-15(14)22-18(23)16-6-7-17(27-16)26-13-9-11(20)8-12(21)10-13/h2-10H,1H3,(H,22,23).
What are the key properties of methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate?
methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate has a molecular weight of 406.22 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate is sourced from PubChem (CID 2814404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).