2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid

C11H11ClFNO3 — CID 82484267

IUPAC2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO3/c1-14(6-11(16)17)10(15)5-7-4-8(12)2-3-9(7)13/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyHIRISDUZZCINNX-UHFFFAOYSA-N
MW259.66 g/mol
LogP1.56
Rot. Bonds4

About 2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid

2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid (PubChem CID 82484267) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid
PubChem CID82484267
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO3/c1-14(6-11(16)17)10(15)5-7-4-8(12)2-3-9(7)13/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyHIRISDUZZCINNX-UHFFFAOYSA-N
XLogP1.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(2,6-dichlorophenyl)-N-methylacetamido]acetate
CID 43407394
methyl N-[(2-chloro-6-fluorophenyl)acetyl]glycinate
CID 1241670
trans-rac-2-(7-chloro-1-isobutyl-2-oxo-5-phenyl-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)acetic acid
CID 54580309
trans-rac-2-(5-(2-chlorophenyl)-7-fluoro-1-isobutyl-2-oxo-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)acetic acid
CID 54584271
2-[Methyl(2-phenylacetyl)amino]acetic acid
CID 241590
methyl 2-(2-(2-chloro-6-fluorophenyl)-N-methylacetamido)acetate
CID 43407406
2-(2-chloro-6-fluorophenyl)-2-(N-methylacetamido)acetic acid
CID 55232396
(2S)-3-(3-chlorophenyl)-2-(propanoylamino)propanoic acid
CID 93725154
2-(2-chloro-6-fluorophenyl)-N,N-diethylacetamide
CID 839133
methyl 2-[2-(2,4-dichlorophenyl)-N-methylacetamido]acetate
CID 43407390
Methyl 2-[3-(3-chlorophenyl)propanoyl-(cyanomethyl)amino]acetate
CID 72006850
2-[[(2S)-butan-2-yl]-[2-(2,3-difluorophenyl)acetyl]amino]acetic acid
CID 97161317

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid (CID 82484267) is 2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid?
The InChIKey is HIRISDUZZCINNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c1-14(6-11(16)17)10(15)5-7-4-8(12)2-3-9(7)13/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid?
2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid has a molecular weight of 259.66 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 82484267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).