4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide

C21H25FN2O2 — CID 46969615

IUPAC4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
SMILESCN(CCNC(=O)C1(c2ccccc2F)CCOCC1)c1ccccc1
InChIInChI=1S/C21H25FN2O2/c1-24(17-7-3-2-4-8-17)14-13-23-20(25)21(11-15-26-16-12-21)18-9-5-6-10-19(18)22/h2-10H,11-16H2,1H3,(H,23,25)
InChIKeyXLWOHZKYHIYWAV-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.13
Rot. Bonds6

About 4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide

4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide (PubChem CID 46969615) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
PubChem CID46969615
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
SMILESCN(CCNC(=O)C1(c2ccccc2F)CCOCC1)c1ccccc1
InChIInChI=1S/C21H25FN2O2/c1-24(17-7-3-2-4-8-17)14-13-23-20(25)21(11-15-26-16-12-21)18-9-5-6-10-19(18)22/h2-10H,11-16H2,1H3,(H,23,25)
InChIKeyXLWOHZKYHIYWAV-UHFFFAOYSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24668035
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
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N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
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3-[[4-(2-methylphenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119351197
1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide
CID 110626715
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 110428117

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide (CID 46969615) is 4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide is CN(CCNC(=O)C1(c2ccccc2F)CCOCC1)c1ccccc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide?
The InChIKey is XLWOHZKYHIYWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-24(17-7-3-2-4-8-17)14-13-23-20(25)21(11-15-26-16-12-21)18-9-5-6-10-19(18)22/h2-10H,11-16H2,1H3,(H,23,25).
What are the key properties of 4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide?
4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 46969615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).