propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate

C21H18ClNO4 — CID 23938061

IUPACpropyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C21H18ClNO4/c1-2-13-26-21(25)15-5-9-17(10-6-15)23-20(24)19-12-11-18(27-19)14-3-7-16(22)8-4-14/h3-12H,2,13H2,1H3,(H,23,24)
InChIKeyHJQNKFKPLISLJK-UHFFFAOYSA-N
MW383.83 g/mol
LogP5.42
Rot. Bonds6

About propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate

propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate (PubChem CID 23938061) has the molecular formula C21H18ClNO4 and a molecular weight of 383.83 g/mol. Its IUPAC name is propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate
PubChem CID23938061
Molecular FormulaC21H18ClNO4
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC Namepropyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C21H18ClNO4/c1-2-13-26-21(25)15-5-9-17(10-6-15)23-20(24)19-12-11-18(27-19)14-3-7-16(22)8-4-14/h3-12H,2,13H2,1H3,(H,23,24)
InChIKeyHJQNKFKPLISLJK-UHFFFAOYSA-N
XLogP5.42
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.83
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 5343907
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 1490282
propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate
CID 19240947
propyl 4-[[2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetyl]amino]benzoate
CID 55789898
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 19220847
propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 18808872
N-[4-(acetylcarbamothioylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 5230073
propyl 4-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732137
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate?
The IUPAC name of propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate (CID 23938061) is propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate?
The canonical SMILES for propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate?
The InChIKey is HJQNKFKPLISLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4/c1-2-13-26-21(25)15-5-9-17(10-6-15)23-20(24)19-12-11-18(27-19)14-3-7-16(22)8-4-14/h3-12H,2,13H2,1H3,(H,23,24).
What are the key properties of propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate?
propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate has a molecular weight of 383.83 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate is sourced from PubChem (CID 23938061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).