methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate

C17H17FN2O3 — CID 47064166

IUPACmethyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
SMILESCOC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-16(21)11-19-14-8-6-12(7-9-14)17(22)20-10-13-4-2-3-5-15(13)18/h2-9,19H,10-11H2,1H3,(H,20,22)
InChIKeySRKAURIVAVTLAD-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.34
Rot. Bonds6

About methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate

methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate (PubChem CID 47064166) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
PubChem CID47064166
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Namemethyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
SMILESCOC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-16(21)11-19-14-8-6-12(7-9-14)17(22)20-10-13-4-2-3-5-15(13)18/h2-9,19H,10-11H2,1H3,(H,20,22)
InChIKeySRKAURIVAVTLAD-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
N-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119718423
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 55896904
4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111601526
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 60536621

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate?
The IUPAC name of methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate (CID 47064166) is methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate.
What is the SMILES notation for methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate?
The canonical SMILES for methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate is COC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate?
The InChIKey is SRKAURIVAVTLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-16(21)11-19-14-8-6-12(7-9-14)17(22)20-10-13-4-2-3-5-15(13)18/h2-9,19H,10-11H2,1H3,(H,20,22).
What are the key properties of methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate?
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate has a molecular weight of 316.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate is sourced from PubChem (CID 47064166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).