4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid

C19H16ClNO4 — CID 75383586

IUPAC4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1
InChIInChI=1S/C19H16ClNO4/c20-14-6-8-16-13(10-14)11-17(25-16)19(24)21-15(7-9-18(22)23)12-4-2-1-3-5-12/h1-6,8,10-11,15H,7,9H2,(H,21,24)(H,22,23)
InChIKeyHLOZYFSMVWRTKI-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.42
Rot. Bonds6

About 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid

4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid (PubChem CID 75383586) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid
PubChem CID75383586
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1
InChIInChI=1S/C19H16ClNO4/c20-14-6-8-16-13(10-14)11-17(25-16)19(24)21-15(7-9-18(22)23)12-4-2-1-3-5-12/h1-6,8,10-11,15H,7,9H2,(H,21,24)(H,22,23)
InChIKeyHLOZYFSMVWRTKI-UHFFFAOYSA-N
XLogP4.42
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9427401
5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide
CID 166227335
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid
CID 119201090
methyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 86910334
ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate
CID 86813424
N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide
CID 177139933
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
3-(5-chloro-1-benzofuran-2-yl)-1-phenylbut-3-en-1-amine
CID 57296917
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid (CID 75383586) is 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid is O=C(O)CCC(NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1.
What is the InChIKey of 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid?
The InChIKey is HLOZYFSMVWRTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c20-14-6-8-16-13(10-14)11-17(25-16)19(24)21-15(7-9-18(22)23)12-4-2-1-3-5-12/h1-6,8,10-11,15H,7,9H2,(H,21,24)(H,22,23).
What are the key properties of 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid?
4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid has a molecular weight of 357.79 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid is sourced from PubChem (CID 75383586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).