4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate

C18H10Cl2NO4- — CID 9150445

IUPAC4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccc(-c3c(Cl)cccc3Cl)o2)cc1
InChIInChI=1S/C18H11Cl2NO4/c19-12-2-1-3-13(20)16(12)14-8-9-15(25-14)17(22)21-11-6-4-10(5-7-11)18(23)24/h1-9H,(H,21,22)(H,23,24)/p-1
InChIKeyAIDXOZGXTMGXND-UHFFFAOYSA-M
MW375.19 g/mol
LogP3.87
Rot. Bonds4

About 4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate

4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate (PubChem CID 9150445) has the molecular formula C18H10Cl2NO4- and a molecular weight of 375.19 g/mol. Its IUPAC name is 4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Name4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate
PubChem CID9150445
Molecular FormulaC18H10Cl2NO4-
Molecular Weight375.19 g/mol
Exact Mass374.00
IUPAC Name4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccc(-c3c(Cl)cccc3Cl)o2)cc1
InChIInChI=1S/C18H11Cl2NO4/c19-12-2-1-3-13(20)16(12)14-8-9-15(25-14)17(22)21-11-6-4-10(5-7-11)18(23)24/h1-9H,(H,21,22)(H,23,24)/p-1
InChIKeyAIDXOZGXTMGXND-UHFFFAOYSA-M
XLogP3.87
TPSA82.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dichlorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 17015033
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 25276463
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790
5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
CID 5070053
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
CID 4050771
N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1395394
N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 2892817

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate?
The IUPAC name of 4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate (CID 9150445) is 4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate.
What is the SMILES notation for 4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate?
The canonical SMILES for 4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate is O=C([O-])c1ccc(NC(=O)c2ccc(-c3c(Cl)cccc3Cl)o2)cc1.
What is the InChIKey of 4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate?
The InChIKey is AIDXOZGXTMGXND-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H11Cl2NO4/c19-12-2-1-3-13(20)16(12)14-8-9-15(25-14)17(22)21-11-6-4-10(5-7-11)18(23)24/h1-9H,(H,21,22)(H,23,24)/p-1.
What are the key properties of 4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate?
4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate has a molecular weight of 375.19 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,6-dichlorophenyl)furan-2-carbonyl]amino]benzoate is sourced from PubChem (CID 9150445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).