2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid

C22H17NO4 — CID 1379010

IUPAC2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1
InChIInChI=1S/C22H17NO4/c1-14(24)15-7-6-8-16(13-15)23-21(25)19-11-4-2-9-17(19)18-10-3-5-12-20(18)22(26)27/h2-13H,1H3,(H,23,25)(H,26,27)
InChIKeyVZDXKGBNUGILCO-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.51
Rot. Bonds5

About 2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid

2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 1379010) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid
PubChem CID1379010
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1
InChIInChI=1S/C22H17NO4/c1-14(24)15-7-6-8-16(13-15)23-21(25)19-11-4-2-9-17(19)18-10-3-5-12-20(18)22(26)27/h2-13H,1H3,(H,23,25)(H,26,27)
InChIKeyVZDXKGBNUGILCO-UHFFFAOYSA-N
XLogP4.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid (CID 1379010) is 2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid is CC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is VZDXKGBNUGILCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-14(24)15-7-6-8-16(13-15)23-21(25)19-11-4-2-9-17(19)18-10-3-5-12-20(18)22(26)27/h2-13H,1H3,(H,23,25)(H,26,27).
What are the key properties of 2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid?
2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid has a molecular weight of 359.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-acetylphenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 1379010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).