2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid

C11H11F2NO3 — CID 103513169

IUPAC2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)C(F)F)cc1
InChIInChI=1S/C11H11F2NO3/c1-7-2-4-8(5-3-7)14(6-9(15)16)11(17)10(12)13/h2-5,10H,6H2,1H3,(H,15,16)
InChIKeySIDIFWLAGIVSMJ-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.68
Rot. Bonds4

About 2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid

2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid (PubChem CID 103513169) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
PubChem CID103513169
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)C(F)F)cc1
InChIInChI=1S/C11H11F2NO3/c1-7-2-4-8(5-3-7)14(6-9(15)16)11(17)10(12)13/h2-5,10H,6H2,1H3,(H,15,16)
InChIKeySIDIFWLAGIVSMJ-UHFFFAOYSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638790
2-[N-(2-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161641
2-(N-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylanilino)acetic acid
CID 61160496
2-(N-[(2S)-2-amino-3-methylpentanoyl]-4-methylanilino)acetic acid
CID 15615026
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-[N-(3-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161836
2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
CID 60830764
2-(N-[3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]-4-methylanilino)acetic acid
CID 58153730
2-(N-[(E)-but-2-enoyl]-4-methylanilino)acetic acid
CID 54926318
2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 62003076
2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid
CID 63700444
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid (CID 103513169) is 2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)C(F)F)cc1.
What is the InChIKey of 2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid?
The InChIKey is SIDIFWLAGIVSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-7-2-4-8(5-3-7)14(6-9(15)16)11(17)10(12)13/h2-5,10H,6H2,1H3,(H,15,16).
What are the key properties of 2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid?
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid has a molecular weight of 243.21 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid is sourced from PubChem (CID 103513169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).