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

C19H13Cl2NO4 — CID 3641679

IUPACmethyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H13Cl2NO4/c1-25-19(24)11-5-2-3-8-14(11)22-18(23)16-10-9-15(26-16)12-6-4-7-13(20)17(12)21/h2-10H,1H3,(H,22,23)
InChIKeyQGMSDFORCGRHAK-UHFFFAOYSA-N
MW390.22 g/mol
LogP5.29
Rot. Bonds4

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

methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate (PubChem CID 3641679) has the molecular formula C19H13Cl2NO4 and a molecular weight of 390.22 g/mol. Its IUPAC name is methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate
PubChem CID3641679
Molecular FormulaC19H13Cl2NO4
Molecular Weight390.22 g/mol
Exact Mass389.02
IUPAC Namemethyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H13Cl2NO4/c1-25-19(24)11-5-2-3-8-14(11)22-18(23)16-10-9-15(26-16)12-6-4-7-13(20)17(12)21/h2-10H,1H3,(H,22,23)
InChIKeyQGMSDFORCGRHAK-UHFFFAOYSA-N
XLogP5.29
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.22
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1277633
N-(2-benzoyl-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 2066709
N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 91687558
methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 728836
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102
5-(2,3-dichlorophenyl)-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 4010622
methyl 2-[[5-(3,5-dichlorophenoxy)furan-2-carbonyl]amino]benzoate
CID 2814404
5-(2-chlorophenyl)-N-(2-cyanophenyl)furan-2-carboxamide
CID 944882
5-(2,3-dichlorophenyl)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide
CID 17117300

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate (CID 3641679) is methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate?
The InChIKey is QGMSDFORCGRHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO4/c1-25-19(24)11-5-2-3-8-14(11)22-18(23)16-10-9-15(26-16)12-6-4-7-13(20)17(12)21/h2-10H,1H3,(H,22,23).
What are the key properties of methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate?
methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate has a molecular weight of 390.22 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate is sourced from PubChem (CID 3641679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).