ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate

C21H18ClNO4 — CID 16651463

IUPACethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C21H18ClNO4/c1-3-26-21(25)16-6-4-5-7-18(16)23-20(24)17-12-19(27-13(17)2)14-8-10-15(22)11-9-14/h4-12H,3H2,1-2H3,(H,23,24)
InChIKeyVAPUNLKAEMNREM-UHFFFAOYSA-N
MW383.83 g/mol
LogP5.34
Rot. Bonds5

About ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate

ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate (PubChem CID 16651463) has the molecular formula C21H18ClNO4 and a molecular weight of 383.83 g/mol. Its IUPAC name is ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
PubChem CID16651463
Molecular FormulaC21H18ClNO4
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC Nameethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C21H18ClNO4/c1-3-26-21(25)16-6-4-5-7-18(16)23-20(24)17-12-19(27-13(17)2)14-8-10-15(22)11-9-14/h4-12H,3H2,1-2H3,(H,23,24)
InChIKeyVAPUNLKAEMNREM-UHFFFAOYSA-N
XLogP5.34
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.83
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801
methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 2145557
N-(2-ethoxyphenyl)-2-methyl-5-(4-methylphenyl)furan-3-carboxamide
CID 16650745
N-(2-chlorophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 2742876
N-(2-ethoxyphenyl)-5-(4-fluorophenyl)-2-methylfuran-3-carboxamide
CID 16650861
N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate
CID 16725910
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429
5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 16651453

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate (CID 16651463) is ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C.
What is the InChIKey of ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
The InChIKey is VAPUNLKAEMNREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4/c1-3-26-21(25)16-6-4-5-7-18(16)23-20(24)17-12-19(27-13(17)2)14-8-10-15(22)11-9-14/h4-12H,3H2,1-2H3,(H,23,24).
What are the key properties of ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate?
ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate has a molecular weight of 383.83 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate is sourced from PubChem (CID 16651463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).