2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid

C16H12F2N2O4 — CID 2731836

IUPAC2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C16H12F2N2O4/c17-11-2-1-3-12(18)14(11)16(24)20-10-6-4-9(5-7-10)15(23)19-8-13(21)22/h1-7H,8H2,(H,19,23)(H,20,24)(H,21,22)
InChIKeyCTUQEQZZCUMSDL-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.03
Rot. Bonds5

About 2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid

2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid (PubChem CID 2731836) has the molecular formula C16H12F2N2O4 and a molecular weight of 334.28 g/mol. Its IUPAC name is 2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid
PubChem CID2731836
Molecular FormulaC16H12F2N2O4
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C16H12F2N2O4/c17-11-2-1-3-12(18)14(11)16(24)20-10-6-4-9(5-7-10)15(23)19-8-13(21)22/h1-7H,8H2,(H,19,23)(H,20,24)(H,21,22)
InChIKeyCTUQEQZZCUMSDL-UHFFFAOYSA-N
XLogP2.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid (CID 2731836) is 2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid?
The InChIKey is CTUQEQZZCUMSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O4/c17-11-2-1-3-12(18)14(11)16(24)20-10-6-4-9(5-7-10)15(23)19-8-13(21)22/h1-7H,8H2,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid?
2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid has a molecular weight of 334.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,6-difluorobenzoyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 2731836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).