[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate

C17H14Cl2FNO4 — CID 7791474

IUPAC[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2FNO4/c1-10(17(23)21-15-8-11(18)2-7-14(15)19)25-16(22)9-24-13-5-3-12(20)4-6-13/h2-8,10H,9H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyCLPGCNVRGFSTID-SNVBAGLBSA-N
MW386.21 g/mol
LogP4.08
Rot. Bonds6

About [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate

[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate (PubChem CID 7791474) has the molecular formula C17H14Cl2FNO4 and a molecular weight of 386.21 g/mol. Its IUPAC name is [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
PubChem CID7791474
Molecular FormulaC17H14Cl2FNO4
Molecular Weight386.21 g/mol
Exact Mass385.03
IUPAC Name[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2FNO4/c1-10(17(23)21-15-8-11(18)2-7-14(15)19)25-16(22)9-24-13-5-3-12(20)4-6-13/h2-8,10H,9H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyCLPGCNVRGFSTID-SNVBAGLBSA-N
XLogP4.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 5073487
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553032
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8526227
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-chloro-5-methylphenoxy)acetate
CID 18279733
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791568
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855481
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846078
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate
CID 8638551
[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate
CID 8638546
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 42969587
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846079
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678644

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate (CID 7791474) is [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate is C[C@@H](OC(=O)COc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate?
The InChIKey is CLPGCNVRGFSTID-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14Cl2FNO4/c1-10(17(23)21-15-8-11(18)2-7-14(15)19)25-16(22)9-24-13-5-3-12(20)4-6-13/h2-8,10H,9H2,1H3,(H,21,23)/t10-/m1/s1.
What are the key properties of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate?
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate has a molecular weight of 386.21 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 7791474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).