N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide

C16H16FNO — CID 894790

IUPACN-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO/c1-12-2-4-13(5-3-12)10-16(19)18-11-14-6-8-15(17)9-7-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCSZWRNMHVJCAFH-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.99
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 894790) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID894790
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO/c1-12-2-4-13(5-3-12)10-16(19)18-11-14-6-8-15(17)9-7-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCSZWRNMHVJCAFH-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide (CID 894790) is N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is CSZWRNMHVJCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-12-2-4-13(5-3-12)10-16(19)18-11-14-6-8-15(17)9-7-14/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 257.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 894790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).