2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid

C12H14F2N2O3 — CID 65263881

IUPAC2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NCC(=O)Nc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C12H14F2N2O3/c1-12(2,11(18)19)15-6-10(17)16-9-4-3-7(13)5-8(9)14/h3-5,15H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJAZRAVCRVQPDFF-UHFFFAOYSA-N
MW272.25 g/mol
LogP1.36
Rot. Bonds5

About 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid

2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 65263881) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID65263881
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC Name2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NCC(=O)Nc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C12H14F2N2O3/c1-12(2,11(18)19)15-6-10(17)16-9-4-3-7(13)5-8(9)14/h3-5,15H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJAZRAVCRVQPDFF-UHFFFAOYSA-N
XLogP1.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263865
2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide
CID 56527010
N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580967
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631780
4-(2,4-difluoroanilino)-2-methyl-4-oxobutanoic acid
CID 115164947
N-(2,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688890
N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
CID 17424278
4-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]butanoic acid
CID 43473485
N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109008349
N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035743

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid (CID 65263881) is 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid is CC(C)(NCC(=O)Nc1ccc(F)cc1F)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is JAZRAVCRVQPDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c1-12(2,11(18)19)15-6-10(17)16-9-4-3-7(13)5-8(9)14/h3-5,15H,6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 272.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 65263881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).