2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C12H11ClF3NO3 — CID 79261377

IUPAC2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H11ClF3NO3/c13-9-3-1-2-8(4-9)5-10(18)17(6-11(19)20)7-12(14,15)16/h1-4H,5-7H2,(H,19,20)
InChIKeyZMHSAIIGZMRVGW-UHFFFAOYSA-N
MW309.67 g/mol
LogP2.36
Rot. Bonds5

About 2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79261377) has the molecular formula C12H11ClF3NO3 and a molecular weight of 309.67 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79261377
Molecular FormulaC12H11ClF3NO3
Molecular Weight309.67 g/mol
Exact Mass309.04
IUPAC Name2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H11ClF3NO3/c13-9-3-1-2-8(4-9)5-10(18)17(6-11(19)20)7-12(14,15)16/h1-4H,5-7H2,(H,19,20)
InChIKeyZMHSAIIGZMRVGW-UHFFFAOYSA-N
XLogP2.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.67
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(2,6-dichlorophenyl)-N-methylacetamido]acetate
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CID 72002123
2-[Methyl(2-phenylacetyl)amino]acetic acid
CID 241590
methyl 2-(2-(2-chloro-6-fluorophenyl)-N-methylacetamido)acetate
CID 43407406
2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide
CID 125484423
Methyl 2-[3-(3-chlorophenyl)propanoyl-(cyanomethyl)amino]acetate
CID 72006850
3-(3-Chlorophenyl)-1-[3-(difluoromethyl)azetidin-1-yl]propan-1-one
CID 122272372
4-Chloro-alpha-[methyl(trifluoroacetyl)amino]-benzeneacetic acid
CID 10990101
(2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid
CID 54293033
2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 58376093
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CID 67153272
2-(3-(2-Chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl)acetic acid
CID 67360408

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79261377) is 2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ZMHSAIIGZMRVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO3/c13-9-3-1-2-8(4-9)5-10(18)17(6-11(19)20)7-12(14,15)16/h1-4H,5-7H2,(H,19,20).
What are the key properties of 2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 309.67 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79261377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).