2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid

C24H21ClN2O4 — CID 162671190

IUPAC2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CNC3)c2)c1
InChIInChI=1S/C24H21ClN2O4/c25-20-9-8-16(11-22(20)31-19-13-26-14-19)15-5-3-6-18(10-15)24(30)27-21-7-2-1-4-17(21)12-23(28)29/h1-11,19,26H,12-14H2,(H,27,30)(H,28,29)
InChIKeySVUPYKWBLAHAJY-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.24
Rot. Bonds7

About 2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid

2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid (PubChem CID 162671190) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid
PubChem CID162671190
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CNC3)c2)c1
InChIInChI=1S/C24H21ClN2O4/c25-20-9-8-16(11-22(20)31-19-13-26-14-19)15-5-3-6-18(10-15)24(30)27-21-7-2-1-4-17(21)12-23(28)29/h1-11,19,26H,12-14H2,(H,27,30)(H,28,29)
InChIKeySVUPYKWBLAHAJY-UHFFFAOYSA-N
XLogP4.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid (CID 162671190) is 2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CNC3)c2)c1.
What is the InChIKey of 2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid?
The InChIKey is SVUPYKWBLAHAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c25-20-9-8-16(11-22(20)31-19-13-26-14-19)15-5-3-6-18(10-15)24(30)27-21-7-2-1-4-17(21)12-23(28)29/h1-11,19,26H,12-14H2,(H,27,30)(H,28,29).
What are the key properties of 2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid?
2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid has a molecular weight of 436.90 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[3-(azetidin-3-yloxy)-4-chlorophenyl]benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 162671190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).