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

C16H13FN2O4 — CID 45434759

IUPAC2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H13FN2O4/c17-12-3-1-2-11(8-12)16(23)19-13-6-4-10(5-7-13)15(22)18-9-14(20)21/h1-8H,9H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyHPXNSDZVGGIXAB-UHFFFAOYSA-N
MW316.29 g/mol
LogP1.89
Rot. Bonds5

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

2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid (PubChem CID 45434759) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
PubChem CID45434759
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H13FN2O4/c17-12-3-1-2-11(8-12)16(23)19-13-6-4-10(5-7-13)15(22)18-9-14(20)21/h1-8H,9H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyHPXNSDZVGGIXAB-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

3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
2-[[4-[(3-nitrobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434704
2-[[4-[(3,4-diaminobenzoyl)amino]benzoyl]amino]acetic acid
CID 142911227
2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
CID 90870302
2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid
CID 45435122
2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45435138
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980338
2-[[4-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetic acid
CID 45435057
4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid
CID 91473317
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid (CID 45434759) is 2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid?
The InChIKey is HPXNSDZVGGIXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c17-12-3-1-2-11(8-12)16(23)19-13-6-4-10(5-7-13)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-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid?
2-[[4-[(3-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-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 45434759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).