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

C20H15Cl2NO4 — CID 2145557

IUPACmethyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)oc1C
InChIInChI=1S/C20H15Cl2NO4/c1-11-16(10-18(27-11)12-7-13(21)9-14(22)8-12)19(24)23-17-6-4-3-5-15(17)20(25)26-2/h3-10H,1-2H3,(H,23,24)
InChIKeyULQGKZXMHKVFGP-UHFFFAOYSA-N
MW404.25 g/mol
LogP5.60
Rot. Bonds4

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

methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate (PubChem CID 2145557) has the molecular formula C20H15Cl2NO4 and a molecular weight of 404.25 g/mol. Its IUPAC name is methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
PubChem CID2145557
Molecular FormulaC20H15Cl2NO4
Molecular Weight404.25 g/mol
Exact Mass403.04
IUPAC Namemethyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)oc1C
InChIInChI=1S/C20H15Cl2NO4/c1-11-16(10-18(27-11)12-7-13(21)9-14(22)8-12)19(24)23-17-6-4-3-5-15(17)20(25)26-2/h3-10H,1-2H3,(H,23,24)
InChIKeyULQGKZXMHKVFGP-UHFFFAOYSA-N
XLogP5.60
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.25
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16651463
methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 18808871
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801
N-(2-chlorophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 2742876
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18808826
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate
CID 2814404
propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 18808872
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide
CID 2215470
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate (CID 2145557) is methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)oc1C.
What is the InChIKey of methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
The InChIKey is ULQGKZXMHKVFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO4/c1-11-16(10-18(27-11)12-7-13(21)9-14(22)8-12)19(24)23-17-6-4-3-5-15(17)20(25)26-2/h3-10H,1-2H3,(H,23,24).
What are the key properties of methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate has a molecular weight of 404.25 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate is sourced from PubChem (CID 2145557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).