2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid

C22H18ClNO4 — CID 134136088

IUPAC2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCc2ccc(Cl)cc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C22H18ClNO4/c23-18-11-9-15(10-12-18)14-28-19-8-4-7-17(13-20(25)26)21(19)24-22(27)16-5-2-1-3-6-16/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyWFFAXJLRUYSHCS-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.80
Rot. Bonds7

About 2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid

2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid (PubChem CID 134136088) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is 2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid
PubChem CID134136088
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCc2ccc(Cl)cc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C22H18ClNO4/c23-18-11-9-15(10-12-18)14-28-19-8-4-7-17(13-20(25)26)21(19)24-22(27)16-5-2-1-3-6-16/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyWFFAXJLRUYSHCS-UHFFFAOYSA-N
XLogP4.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid (CID 134136088) is 2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid is O=C(O)Cc1cccc(OCc2ccc(Cl)cc2)c1NC(=O)c1ccccc1.
What is the InChIKey of 2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid?
The InChIKey is WFFAXJLRUYSHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-18-11-9-15(10-12-18)14-28-19-8-4-7-17(13-20(25)26)21(19)24-22(27)16-5-2-1-3-6-16/h1-12H,13-14H2,(H,24,27)(H,25,26).
What are the key properties of 2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid?
2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid has a molecular weight of 395.84 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzamido-3-[(4-chlorophenyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 134136088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).