[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate

C17H15ClFNO3 — CID 7899184

IUPAC[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11(12-4-8-15(19)9-5-12)23-16(21)10-20-17(22)13-2-6-14(18)7-3-13/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyJZDXYUDUMOPRRB-LLVKDONJSA-N
MW335.76 g/mol
LogP3.51
Rot. Bonds5

About [(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate

[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 7899184) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID7899184
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11(12-4-8-15(19)9-5-12)23-16(21)10-20-17(22)13-2-6-14(18)7-3-13/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyJZDXYUDUMOPRRB-LLVKDONJSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892
[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879449
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877831
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878798
[(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899383
[(1R)-1-(4-fluorophenyl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843387
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920750
[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880684
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 42978956
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4556950
N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide
CID 21157516

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate (CID 7899184) is [(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate is C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is JZDXYUDUMOPRRB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-11(12-4-8-15(19)9-5-12)23-16(21)10-20-17(22)13-2-6-14(18)7-3-13/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 335.76 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 7899184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).