2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

C20H22FNO2 — CID 2234488

IUPAC2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H22FNO2/c21-18-8-6-16(7-9-18)14-19(23)22-15-20(10-12-24-13-11-20)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,22,23)
InChIKeyAFCQMICTRXGKDQ-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.23
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 2234488) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID2234488
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H22FNO2/c21-18-8-6-16(7-9-18)14-19(23)22-15-20(10-12-24-13-11-20)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,22,23)
InChIKeyAFCQMICTRXGKDQ-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 2234488) is 2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is O=C(Cc1ccc(F)cc1)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is AFCQMICTRXGKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c21-18-8-6-16(7-9-18)14-19(23)22-15-20(10-12-24-13-11-20)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 327.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 2234488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).