ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate

C17H18FNO3 — CID 155452288

IUPACethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)cc1Nc1ccc(F)cc1C
InChIInChI=1S/C17H18FNO3/c1-4-22-17(20)14-7-6-13(21-3)10-16(14)19-15-8-5-12(18)9-11(15)2/h5-10,19H,4H2,1-3H3
InChIKeyXKYGFSOPSMPMEY-UHFFFAOYSA-N
MW303.33 g/mol
LogP4.06
Rot. Bonds5

About ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate

ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate (PubChem CID 155452288) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate
PubChem CID155452288
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Nameethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)cc1Nc1ccc(F)cc1C
InChIInChI=1S/C17H18FNO3/c1-4-22-17(20)14-7-6-13(21-3)10-16(14)19-15-8-5-12(18)9-11(15)2/h5-10,19H,4H2,1-3H3
InChIKeyXKYGFSOPSMPMEY-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-fluoro-2-methylanilino)-5-methylbenzoate
CID 155452836
ethyl 4-fluoro-2-hydrazinylbenzoate
CID 131143965
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
methyl 5-amino-2-(4-fluoro-2-methylanilino)benzoate
CID 61306561
N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide
CID 155452627
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
ethyl 2-(4-fluoro-2-propan-2-ylanilino)-4-(trifluoromethyl)benzoate
CID 155452790
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 4-(4-fluoro-2-methylanilino)-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 164529846
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate?
The IUPAC name of ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate (CID 155452288) is ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate.
What is the SMILES notation for ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate?
The canonical SMILES for ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate is CCOC(=O)c1ccc(OC)cc1Nc1ccc(F)cc1C.
What is the InChIKey of ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate?
The InChIKey is XKYGFSOPSMPMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-4-22-17(20)14-7-6-13(21-3)10-16(14)19-15-8-5-12(18)9-11(15)2/h5-10,19H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate?
ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate has a molecular weight of 303.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate is sourced from PubChem (CID 155452288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).