2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid

C21H17NO3 — CID 45346098

IUPAC2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C21H17NO3/c23-20(24)14-15-10-12-17(13-11-15)22-21(25)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2,(H,22,25)(H,23,24)
InChIKeyYZONYMHBWXQGGD-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.23
Rot. Bonds5

About 2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid

2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid (PubChem CID 45346098) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid
PubChem CID45346098
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C21H17NO3/c23-20(24)14-15-10-12-17(13-11-15)22-21(25)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2,(H,22,25)(H,23,24)
InChIKeyYZONYMHBWXQGGD-UHFFFAOYSA-N
XLogP4.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid (CID 45346098) is 2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid?
The InChIKey is YZONYMHBWXQGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-20(24)14-15-10-12-17(13-11-15)22-21(25)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2,(H,22,25)(H,23,24).
What are the key properties of 2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid?
2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid has a molecular weight of 331.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenylbenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 45346098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).