[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate

C12H11F2N5O3 — CID 8890200

IUPAC[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
SMILESC[C@@H](OC(=O)Cn1cnnn1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H11F2N5O3/c1-7(22-11(20)5-19-6-15-17-18-19)12(21)16-10-3-2-8(13)4-9(10)14/h2-4,6-7H,5H2,1H3,(H,16,21)/t7-/m1/s1
InChIKeyRSNSAJYFCGXGDQ-SSDOTTSWSA-N
MW311.25 g/mol
LogP0.52
Rot. Bonds5

About [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate

[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate (PubChem CID 8890200) has the molecular formula C12H11F2N5O3 and a molecular weight of 311.25 g/mol. Its IUPAC name is [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
PubChem CID8890200
Molecular FormulaC12H11F2N5O3
Molecular Weight311.25 g/mol
Exact Mass311.08
IUPAC Name[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
SMILESC[C@@H](OC(=O)Cn1cnnn1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H11F2N5O3/c1-7(22-11(20)5-19-6-15-17-18-19)12(21)16-10-3-2-8(13)4-9(10)14/h2-4,6-7H,5H2,1H3,(H,16,21)/t7-/m1/s1
InChIKeyRSNSAJYFCGXGDQ-SSDOTTSWSA-N
XLogP0.52
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8890213
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9305861
ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 46626146
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8881187
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8571771
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384506
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate
CID 9310576
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094481
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 9307857
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] propanoate
CID 7851242
N-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546289
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate
CID 46629624

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
The IUPAC name of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate (CID 8890200) is [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate.
What is the SMILES notation for [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
The canonical SMILES for [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate is C[C@@H](OC(=O)Cn1cnnn1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
The InChIKey is RSNSAJYFCGXGDQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H11F2N5O3/c1-7(22-11(20)5-19-6-15-17-18-19)12(21)16-10-3-2-8(13)4-9(10)14/h2-4,6-7H,5H2,1H3,(H,16,21)/t7-/m1/s1.
What are the key properties of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate has a molecular weight of 311.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate is sourced from PubChem (CID 8890200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).