propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate

C19H16ClNO4 — CID 19240947

IUPACpropyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C19H16ClNO4/c1-2-9-24-19(23)12-3-6-15(7-4-12)21-18(22)17-11-13-10-14(20)5-8-16(13)25-17/h3-8,10-11H,2,9H2,1H3,(H,21,22)
InChIKeyYWSJYJZYOQGZNM-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.91
Rot. Bonds5

About propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate

propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate (PubChem CID 19240947) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate
PubChem CID19240947
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Namepropyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C19H16ClNO4/c1-2-9-24-19(23)12-3-6-15(7-4-12)21-18(22)17-11-13-10-14(20)5-8-16(13)25-17/h3-8,10-11H,2,9H2,1H3,(H,21,22)
InChIKeyYWSJYJZYOQGZNM-UHFFFAOYSA-N
XLogP4.91
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate
CID 23938061
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 19207105
5-chloro-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 18876031
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773
2-methylpropyl 4-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225315
N-(4-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxamide
CID 78843309
N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 19240940
propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 18808872
butyl 4-[[2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 4573662
propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 19220847
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate (CID 19240947) is propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate?
The InChIKey is YWSJYJZYOQGZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-2-9-24-19(23)12-3-6-15(7-4-12)21-18(22)17-11-13-10-14(20)5-8-16(13)25-17/h3-8,10-11H,2,9H2,1H3,(H,21,22).
What are the key properties of propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate?
propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate has a molecular weight of 357.79 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 19240947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).