[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate

C17H14Cl2FNO3 — CID 8589753

IUPAC[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2FNO3/c1-10(17(23)21-15-6-5-12(18)9-14(15)19)24-16(22)8-11-3-2-4-13(20)7-11/h2-7,9-10H,8H2,1H3,(H,21,23)/t10-/m0/s1
InChIKeyDZFIHBFKOBUQBS-JTQLQIEISA-N
MW370.21 g/mol
LogP4.25
Rot. Bonds5

About [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate

[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate (PubChem CID 8589753) has the molecular formula C17H14Cl2FNO3 and a molecular weight of 370.21 g/mol. Its IUPAC name is [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
PubChem CID8589753
Molecular FormulaC17H14Cl2FNO3
Molecular Weight370.21 g/mol
Exact Mass369.03
IUPAC Name[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2FNO3/c1-10(17(23)21-15-6-5-12(18)9-14(15)19)24-16(22)8-11-3-2-4-13(20)7-11/h2-7,9-10H,8H2,1H3,(H,21,23)/t10-/m0/s1
InChIKeyDZFIHBFKOBUQBS-JTQLQIEISA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8589755
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590380
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 7763083
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767433
[(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590476
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667100
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 46827079
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767167
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590345
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8516079
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968844
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-thiophen-2-ylacetate
CID 7798766

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
The IUPAC name of [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate (CID 8589753) is [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
The canonical SMILES for [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate is C[C@H](OC(=O)Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
The InChIKey is DZFIHBFKOBUQBS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14Cl2FNO3/c1-10(17(23)21-15-6-5-12(18)9-14(15)19)24-16(22)8-11-3-2-4-13(20)7-11/h2-7,9-10H,8H2,1H3,(H,21,23)/t10-/m0/s1.
What are the key properties of [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate has a molecular weight of 370.21 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 8589753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).