2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid

C10H7Cl2F2NO3 — CID 175825346

IUPAC2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid
SMILESCC(=O)Nc1cc(Cl)c(Cl)c(C(F)(F)C(=O)O)c1
InChIInChI=1S/C10H7Cl2F2NO3/c1-4(16)15-5-2-6(8(12)7(11)3-5)10(13,14)9(17)18/h2-3H,1H3,(H,15,16)(H,17,18)
InChIKeyRSDIOHLMOCAPAS-UHFFFAOYSA-N
MW298.07 g/mol
LogP3.13
Rot. Bonds3

About 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid

2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid (PubChem CID 175825346) has the molecular formula C10H7Cl2F2NO3 and a molecular weight of 298.07 g/mol. Its IUPAC name is 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid
PubChem CID175825346
Molecular FormulaC10H7Cl2F2NO3
Molecular Weight298.07 g/mol
Exact Mass296.98
IUPAC Name2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid
SMILESCC(=O)Nc1cc(Cl)c(Cl)c(C(F)(F)C(=O)O)c1
InChIInChI=1S/C10H7Cl2F2NO3/c1-4(16)15-5-2-6(8(12)7(11)3-5)10(13,14)9(17)18/h2-3H,1H3,(H,15,16)(H,17,18)
InChIKeyRSDIOHLMOCAPAS-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.07
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid
CID 90886806
2-[6-Chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid
CID 20792224
2-[6-Chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid;molecular hydrogen
CID 158984402
[3-[Carboxy(difluoro)methyl]-4,5-dichlorophenyl]azanium
CID 166132486
2-(5-Amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid
CID 166132487
Ethyl 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetate
CID 166132520
2-(5-Acetamido-2-chloro-3-fluorophenyl)butanoic acid
CID 170311956
2-(5-Acetamido-2-chloro-3-fluorophenyl)but-3-enoic acid
CID 170311960
2-[3-[[2-(2-Chloro-6-fluorophenyl)acetyl]amino]phenyl]acetic acid
CID 137972013
2-(5-{[(Tert-butoxy)carbonyl]amino}-2-chlorophenyl)-2,2-difluoroacetic acid
CID 165699453
2-[2-Chloro-3-(2,2,2-trifluoroacetamido)phenyl]acetic acid
CID 165919975
2-[2,6-Dichloro-4-(2,2,2-trifluoroacetamido)phenyl]acetic acid
CID 165921050

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid (CID 175825346) is 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid is CC(=O)Nc1cc(Cl)c(Cl)c(C(F)(F)C(=O)O)c1.
What is the InChIKey of 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid?
The InChIKey is RSDIOHLMOCAPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F2NO3/c1-4(16)15-5-2-6(8(12)7(11)3-5)10(13,14)9(17)18/h2-3H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid?
2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid has a molecular weight of 298.07 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2,3-dichlorophenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 175825346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).