2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid

C11H10F2N2O4 — CID 43387598

IUPAC2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H10F2N2O4/c12-7-1-6(2-8(13)3-7)11(19)15-4-9(16)14-5-10(17)18/h1-3H,4-5H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyYCMBYFMTVOHXOL-UHFFFAOYSA-N
MW272.21 g/mol
LogP-0.10
Rot. Bonds5

About 2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid

2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 43387598) has the molecular formula C11H10F2N2O4 and a molecular weight of 272.21 g/mol. Its IUPAC name is 2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
PubChem CID43387598
Molecular FormulaC11H10F2N2O4
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H10F2N2O4/c12-7-1-6(2-8(13)3-7)11(19)15-4-9(16)14-5-10(17)18/h1-3H,4-5H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyYCMBYFMTVOHXOL-UHFFFAOYSA-N
XLogP-0.10
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid
CID 175668363
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
2-[[2-[[2-[(3,5-dinitrobenzoyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 44585321
2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 114019599
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide
CID 111483465
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
CID 3478136
4-[(3,5-difluorobenzoyl)amino]butanoic acid
CID 16769702
2-[[2-[(4-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387687
2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 103870021
3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide
CID 49493945
3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide
CID 99826245
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid (CID 43387598) is 2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is YCMBYFMTVOHXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O4/c12-7-1-6(2-8(13)3-7)11(19)15-4-9(16)14-5-10(17)18/h1-3H,4-5H2,(H,14,16)(H,15,19)(H,17,18).
What are the key properties of 2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 272.21 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).