methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate

C14H18FNO3 — CID 113369484

IUPACmethyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate
SMILESCCOc1ccc(NC(C(=O)OC)C2CC2)cc1F
InChIInChI=1S/C14H18FNO3/c1-3-19-12-7-6-10(8-11(12)15)16-13(9-4-5-9)14(17)18-2/h6-9,13,16H,3-5H2,1-2H3
InChIKeyHPSDHJHKTZUQRR-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.59
Rot. Bonds6

About methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate

methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate (PubChem CID 113369484) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate
PubChem CID113369484
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate
SMILESCCOc1ccc(NC(C(=O)OC)C2CC2)cc1F
InChIInChI=1S/C14H18FNO3/c1-3-19-12-7-6-10(8-11(12)15)16-13(9-4-5-9)14(17)18-2/h6-9,13,16H,3-5H2,1-2H3
InChIKeyHPSDHJHKTZUQRR-UHFFFAOYSA-N
XLogP2.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.59
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-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
2-(4-aminopiperidin-1-yl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738459
N-(1-cyclopropylpropyl)-3-fluoro-4-methoxyaniline
CID 64918809
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
4-ethoxy-3-fluoro-N-hexan-3-ylaniline
CID 114079602
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692
methyl 2-cyclopropyl-2-[3-(1,1-difluoroethyl)anilino]acetate
CID 167814164
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate (CID 113369484) is methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate is CCOc1ccc(NC(C(=O)OC)C2CC2)cc1F.
What is the InChIKey of methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate?
The InChIKey is HPSDHJHKTZUQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-19-12-7-6-10(8-11(12)15)16-13(9-4-5-9)14(17)18-2/h6-9,13,16H,3-5H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate?
methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate has a molecular weight of 267.30 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate is sourced from PubChem (CID 113369484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).