methyl 2-(3-fluoroanilino)-2-phenylacetate

C15H14FNO2 — CID 60647770

IUPACmethyl 2-(3-fluoroanilino)-2-phenylacetate
SMILESCOC(=O)C(Nc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C15H14FNO2/c1-19-15(18)14(11-6-3-2-4-7-11)17-13-9-5-8-12(16)10-13/h2-10,14,17H,1H3
InChIKeyVTWCQIYRVMULSJ-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.15
Rot. Bonds4

About methyl 2-(3-fluoroanilino)-2-phenylacetate

methyl 2-(3-fluoroanilino)-2-phenylacetate (PubChem CID 60647770) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl 2-(3-fluoroanilino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(3-fluoroanilino)-2-phenylacetate
PubChem CID60647770
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Namemethyl 2-(3-fluoroanilino)-2-phenylacetate
SMILESCOC(=O)C(Nc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C15H14FNO2/c1-19-15(18)14(11-6-3-2-4-7-11)17-13-9-5-8-12(16)10-13/h2-10,14,17H,1H3
InChIKeyVTWCQIYRVMULSJ-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-(Phenylamino)benzeneacetic acid
CID 19375
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2380295
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2425033
methyl N-{3-methyl-5-[(4-methylphenyl)amino]-5-oxopentanoyl}phenylalaninate
CID 16467950
Methyl 2-[4-[4-(2-ethylbutanoylamino)phenyl]piperazin-1-yl]-2-phenylacetate
CID 16666777
{4-[4-(2-Ethyl-butyrylamino)-2-fluoro-phenyl]-piperazin-1-yl}-phenyl-acetic acid methyl ester
CID 16667331
Acetic acid, 2-(p-(benzylamino)phenyl)-
CID 38320
Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 2736972
3-(4-{[(3-Fluorophenyl)methyl]amino}phenyl)propanoic acid
CID 24825497
(S)-3-Phenyl-2-(3-p-tolyl-ureido)-propionic acid methyl ester
CID 940803
Acetic acid, 2-(p-(isopropylamino)phenyl)-
CID 34048
Acetic acid, 2-(p-(ethylamino)phenyl)-
CID 38317

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoroanilino)-2-phenylacetate?
The IUPAC name of methyl 2-(3-fluoroanilino)-2-phenylacetate (CID 60647770) is methyl 2-(3-fluoroanilino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(3-fluoroanilino)-2-phenylacetate?
The canonical SMILES for methyl 2-(3-fluoroanilino)-2-phenylacetate is COC(=O)C(Nc1cccc(F)c1)c1ccccc1.
What is the InChIKey of methyl 2-(3-fluoroanilino)-2-phenylacetate?
The InChIKey is VTWCQIYRVMULSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-19-15(18)14(11-6-3-2-4-7-11)17-13-9-5-8-12(16)10-13/h2-10,14,17H,1H3.
What are the key properties of methyl 2-(3-fluoroanilino)-2-phenylacetate?
methyl 2-(3-fluoroanilino)-2-phenylacetate has a molecular weight of 259.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoroanilino)-2-phenylacetate is sourced from PubChem (CID 60647770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).