[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate

C23H20FNO4 — CID 8661214

IUPAC[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate
SMILESCOc1cccc(NC(=O)[C@@H](OC(=O)Cc2ccccc2F)c2ccccc2)c1
InChIInChI=1S/C23H20FNO4/c1-28-19-12-7-11-18(15-19)25-23(27)22(16-8-3-2-4-9-16)29-21(26)14-17-10-5-6-13-20(17)24/h2-13,15,22H,14H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyRECLUHJCAFCQHV-QFIPXVFZSA-N
MW393.41 g/mol
LogP4.30
Rot. Bonds7

About [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate

[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate (PubChem CID 8661214) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate
PubChem CID8661214
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Name[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate
SMILESCOc1cccc(NC(=O)[C@@H](OC(=O)Cc2ccccc2F)c2ccccc2)c1
InChIInChI=1S/C23H20FNO4/c1-28-19-12-7-11-18(15-19)25-23(27)22(16-8-3-2-4-9-16)29-21(26)14-17-10-5-6-13-20(17)24/h2-13,15,22H,14H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyRECLUHJCAFCQHV-QFIPXVFZSA-N
XLogP4.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 2515095
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42014676
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
CID 2590287
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912825
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-chloro-6-fluorobenzoate
CID 4802517
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 18225273
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011293
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 7981048
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate
CID 55323062
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536891
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-methylbenzoate
CID 4803163

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate (CID 8661214) is [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate is COc1cccc(NC(=O)[C@@H](OC(=O)Cc2ccccc2F)c2ccccc2)c1.
What is the InChIKey of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is RECLUHJCAFCQHV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20FNO4/c1-28-19-12-7-11-18(15-19)25-23(27)22(16-8-3-2-4-9-16)29-21(26)14-17-10-5-6-13-20(17)24/h2-13,15,22H,14H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate?
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 393.41 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 8661214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).