4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide

C19H19ClFNO2 — CID 134800823

IUPAC4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C19H19ClFNO2/c20-16-7-5-15(6-8-16)19(9-11-24-12-10-19)18(23)22-13-14-3-1-2-4-17(14)21/h1-8H,9-13H2,(H,22,23)
InChIKeyLTSSBDCLDATXBN-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.84
Rot. Bonds4

About 4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide

4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide (PubChem CID 134800823) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide
PubChem CID134800823
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C19H19ClFNO2/c20-16-7-5-15(6-8-16)19(9-11-24-12-10-19)18(23)22-13-14-3-1-2-4-17(14)21/h1-8H,9-13H2,(H,22,23)
InChIKeyLTSSBDCLDATXBN-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide (CID 134800823) is 4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide is O=C(NCc1ccccc1F)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide?
The InChIKey is LTSSBDCLDATXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-16-7-5-15(6-8-16)19(9-11-24-12-10-19)18(23)22-13-14-3-1-2-4-17(14)21/h1-8H,9-13H2,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide?
4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide has a molecular weight of 347.82 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 134800823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).