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

C17H15ClFNO3 — CID 8590380

IUPAC[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11(17(22)20-15-7-5-13(18)6-8-15)23-16(21)10-12-3-2-4-14(19)9-12/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyNAASZFVETSPXSK-NSHDSACASA-N
MW335.76 g/mol
LogP3.59
Rot. Bonds5

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

[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate (PubChem CID 8590380) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
PubChem CID8590380
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11(17(22)20-15-7-5-13(18)6-8-15)23-16(21)10-12-3-2-4-14(19)9-12/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyNAASZFVETSPXSK-NSHDSACASA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590345
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8589755
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8589753
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750151
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 7836603
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(3-fluorophenyl)acetate
CID 8560156
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 7724829
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 7724833
[(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590476
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750150

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
The IUPAC name of [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate (CID 8590380) is [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
The canonical SMILES for [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate is C[C@H](OC(=O)Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
The InChIKey is NAASZFVETSPXSK-NSHDSACASA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-11(17(22)20-15-7-5-13(18)6-8-15)23-16(21)10-12-3-2-4-14(19)9-12/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate has a molecular weight of 335.76 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 8590380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).