2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid

C16H13FN2O4 — CID 45435138

IUPAC2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H13FN2O4/c17-13-4-2-1-3-12(13)16(23)19-11-7-5-10(6-8-11)15(22)18-9-14(20)21/h1-8H,9H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyAYEAFHAFGBUSKV-UHFFFAOYSA-N
MW316.29 g/mol
LogP1.89
Rot. Bonds5

About 2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid

2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid (PubChem CID 45435138) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid
PubChem CID45435138
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H13FN2O4/c17-13-4-2-1-3-12(13)16(23)19-11-7-5-10(6-8-11)15(22)18-9-14(20)21/h1-8H,9H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyAYEAFHAFGBUSKV-UHFFFAOYSA-N
XLogP1.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
3-[[4-[(2,4-difluorobenzoyl)amino]benzoyl]amino]propanoic acid
CID 108808623
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
2-benzamidoacetic acid;hydrofluoride
CID 174760685
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218704
2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide
CID 9413646
2-[[4-[(3,4-diaminobenzoyl)amino]benzoyl]amino]acetic acid
CID 142911227
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid (CID 45435138) is 2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid?
The InChIKey is AYEAFHAFGBUSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c17-13-4-2-1-3-12(13)16(23)19-11-7-5-10(6-8-11)15(22)18-9-14(20)21/h1-8H,9H2,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid?
2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid has a molecular weight of 316.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 45435138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).