ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate

C24H25FN2O3 — CID 143212215

IUPACethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate
SMILESCCOC(=O)C(CCNc1c(C)cccc1F)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H25FN2O3/c1-3-30-24(29)21(13-14-26-22-16(2)7-6-10-20(22)25)27-23(28)19-12-11-17-8-4-5-9-18(17)15-19/h4-12,15,21,26H,3,13-14H2,1-2H3,(H,27,28)
InChIKeyXWDZULFPJKCEGO-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.45
Rot. Bonds8

About ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate

ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate (PubChem CID 143212215) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate
PubChem CID143212215
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Nameethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate
SMILESCCOC(=O)C(CCNc1c(C)cccc1F)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H25FN2O3/c1-3-30-24(29)21(13-14-26-22-16(2)7-6-10-20(22)25)27-23(28)19-12-11-17-8-4-5-9-18(17)15-19/h4-12,15,21,26H,3,13-14H2,1-2H3,(H,27,28)
InChIKeyXWDZULFPJKCEGO-UHFFFAOYSA-N
XLogP4.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate?
The IUPAC name of ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate (CID 143212215) is ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate.
What is the SMILES notation for ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate?
The canonical SMILES for ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate is CCOC(=O)C(CCNc1c(C)cccc1F)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate?
The InChIKey is XWDZULFPJKCEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-3-30-24(29)21(13-14-26-22-16(2)7-6-10-20(22)25)27-23(28)19-12-11-17-8-4-5-9-18(17)15-19/h4-12,15,21,26H,3,13-14H2,1-2H3,(H,27,28).
What are the key properties of ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate?
ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate has a molecular weight of 408.47 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-fluoro-6-methylanilino)-2-(naphthalene-2-carbonylamino)butanoate is sourced from PubChem (CID 143212215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).