2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid

C16H14ClNO3 — CID 12644617

IUPAC2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid
SMILESCC(=O)Nc1cc(CC(=O)O)cc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClNO3/c1-10(19)18-15-7-11(8-16(20)21)6-13(9-15)12-2-4-14(17)5-3-12/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyJUUALNKKELCSHX-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.59
Rot. Bonds4

About 2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid

2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid (PubChem CID 12644617) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid
PubChem CID12644617
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid
SMILESCC(=O)Nc1cc(CC(=O)O)cc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClNO3/c1-10(19)18-15-7-11(8-16(20)21)6-13(9-15)12-2-4-14(17)5-3-12/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyJUUALNKKELCSHX-UHFFFAOYSA-N
XLogP3.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid?
The IUPAC name of 2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid (CID 12644617) is 2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid is CC(=O)Nc1cc(CC(=O)O)cc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid?
The InChIKey is JUUALNKKELCSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10(19)18-15-7-11(8-16(20)21)6-13(9-15)12-2-4-14(17)5-3-12/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid?
2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid has a molecular weight of 303.75 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetamido-5-(4-chlorophenyl)phenyl]acetic acid is sourced from PubChem (CID 12644617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).