methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate

C16H16FNO3 — CID 24814480

IUPACmethyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
SMILESCOC(=O)C(Nc1ccc(OC)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-20-14-9-7-13(8-10-14)18-15(16(19)21-2)11-3-5-12(17)6-4-11/h3-10,15,18H,1-2H3
InChIKeyNQLKHHOAGSAKDK-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.16
Rot. Bonds5

About methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate

methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate (PubChem CID 24814480) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
PubChem CID24814480
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Namemethyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
SMILESCOC(=O)C(Nc1ccc(OC)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-20-14-9-7-13(8-10-14)18-15(16(19)21-2)11-3-5-12(17)6-4-11/h3-10,15,18H,1-2H3
InChIKeyNQLKHHOAGSAKDK-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
tert-butyl (2R)-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 102495994
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
CID 60991285
2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone
CID 175404541
N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide
CID 102492656
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
methyl 2-(4-fluorophenyl)-2-(3-methylanilino)acetate
CID 60993493
methyl 2-(3-bromo-4-chlorophenyl)-2-(4-fluoroanilino)acetate
CID 83233258
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate?
The IUPAC name of methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate (CID 24814480) is methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate is COC(=O)C(Nc1ccc(OC)cc1)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate?
The InChIKey is NQLKHHOAGSAKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-20-14-9-7-13(8-10-14)18-15(16(19)21-2)11-3-5-12(17)6-4-11/h3-10,15,18H,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate?
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate has a molecular weight of 289.31 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate is sourced from PubChem (CID 24814480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).