2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid

C21H15ClFNO3 — CID 162646878

IUPAC2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C21H15ClFNO3/c22-15-10-8-13(9-11-15)16-5-3-6-17(20(16)23)21(27)24-18-7-2-1-4-14(18)12-19(25)26/h1-11H,12H2,(H,24,27)(H,25,26)
InChIKeyDUAGRVPHKSIHCC-UHFFFAOYSA-N
MW383.81 g/mol
LogP5.03
Rot. Bonds5

About 2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid

2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid (PubChem CID 162646878) has the molecular formula C21H15ClFNO3 and a molecular weight of 383.81 g/mol. Its IUPAC name is 2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid
PubChem CID162646878
Molecular FormulaC21H15ClFNO3
Molecular Weight383.81 g/mol
Exact Mass383.07
IUPAC Name2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C21H15ClFNO3/c22-15-10-8-13(9-11-15)16-5-3-6-17(20(16)23)21(27)24-18-7-2-1-4-14(18)12-19(25)26/h1-11H,12H2,(H,24,27)(H,25,26)
InChIKeyDUAGRVPHKSIHCC-UHFFFAOYSA-N
XLogP5.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.81
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid (CID 162646878) is 2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)cc2)c1F.
What is the InChIKey of 2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid?
The InChIKey is DUAGRVPHKSIHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFNO3/c22-15-10-8-13(9-11-15)16-5-3-6-17(20(16)23)21(27)24-18-7-2-1-4-14(18)12-19(25)26/h1-11H,12H2,(H,24,27)(H,25,26).
What are the key properties of 2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid?
2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid has a molecular weight of 383.81 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(4-chlorophenyl)-2-fluorobenzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 162646878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).