1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C25H18FNO5 — CID 123233578

IUPAC1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)oc2ccc(F)cc12
InChIInChI=1S/C25H18FNO5/c26-18-9-10-20-19(13-18)21(27-24(30)31)22(32-20)16-3-1-14(2-4-16)15-5-7-17(8-6-15)25(11-12-25)23(28)29/h1-10,13,27H,11-12H2,(H,28,29)(H,30,31)
InChIKeyZBFWREQDDFUSRV-UHFFFAOYSA-N
MW431.42 g/mol
LogP6.11
Rot. Bonds5

About 1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 123233578) has the molecular formula C25H18FNO5 and a molecular weight of 431.42 g/mol. Its IUPAC name is 1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID123233578
Molecular FormulaC25H18FNO5
Molecular Weight431.42 g/mol
Exact Mass431.12
IUPAC Name1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)oc2ccc(F)cc12
InChIInChI=1S/C25H18FNO5/c26-18-9-10-20-19(13-18)21(27-24(30)31)22(32-20)16-3-1-14(2-4-16)15-5-7-17(8-6-15)25(11-12-25)23(28)29/h1-10,13,27H,11-12H2,(H,28,29)(H,30,31)
InChIKeyZBFWREQDDFUSRV-UHFFFAOYSA-N
XLogP6.11
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.42
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376
N-[3-[2-(4-fluorophenyl)-3-(methylaminomethyl)-1-benzofuran-5-yl]-4-methylphenyl]-1-phenylcyclopropane-1-carboxamide
CID 123490812
methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-6-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 71264731
1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549723
1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81164307
1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-7-methyl-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;methane
CID 159705513
sodium 1-[4-[4-[3-(1,3-dihydroindazol-2-yl)-6-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 144533120
(5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone
CID 114725249
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453
1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266874
3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate
CID 86640863
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 123233578) is 1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is O=C(O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)oc2ccc(F)cc12.
What is the InChIKey of 1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZBFWREQDDFUSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO5/c26-18-9-10-20-19(13-18)21(27-24(30)31)22(32-20)16-3-1-14(2-4-16)15-5-7-17(8-6-15)25(11-12-25)23(28)29/h1-10,13,27H,11-12H2,(H,28,29)(H,30,31).
What are the key properties of 1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 431.42 g/mol, XLogP of 6.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(carboxyamino)-5-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 123233578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).