4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide

C21H24FNO3 — CID 27456725

IUPAC4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
SMILESCOc1cccc(CCNC(=O)C2(c3ccc(F)cc3)CCOCC2)c1
InChIInChI=1S/C21H24FNO3/c1-25-19-4-2-3-16(15-19)9-12-23-20(24)21(10-13-26-14-11-21)17-5-7-18(22)8-6-17/h2-8,15H,9-14H2,1H3,(H,23,24)
InChIKeyPTCWGPDSASKPLV-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.24
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide

4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide (PubChem CID 27456725) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
PubChem CID27456725
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
SMILESCOc1cccc(CCNC(=O)C2(c3ccc(F)cc3)CCOCC2)c1
InChIInChI=1S/C21H24FNO3/c1-25-19-4-2-3-16(15-19)9-12-23-20(24)21(10-13-26-14-11-21)17-5-7-18(22)8-6-17/h2-8,15H,9-14H2,1H3,(H,23,24)
InChIKeyPTCWGPDSASKPLV-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-4-(4-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 119547579
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977684
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 71692234
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115184171
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 47880329
1-N'-(2,6-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977671
4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119128032
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine
CID 111229007
1-N'-(2-methoxyphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977694

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide (CID 27456725) is 4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide is COc1cccc(CCNC(=O)C2(c3ccc(F)cc3)CCOCC2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide?
The InChIKey is PTCWGPDSASKPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-25-19-4-2-3-16(15-19)9-12-23-20(24)21(10-13-26-14-11-21)17-5-7-18(22)8-6-17/h2-8,15H,9-14H2,1H3,(H,23,24).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide?
4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 27456725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).