N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide

C22H20FNO — CID 4795044

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20FNO/c1-24(16-17-9-8-14-20(23)15-17)22(25)21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,21H,16H2,1H3
InChIKeyKBXUHORPOBQONX-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.62
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide

N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide (PubChem CID 4795044) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
PubChem CID4795044
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20FNO/c1-24(16-17-9-8-14-20(23)15-17)22(25)21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,21H,16H2,1H3
InChIKeyKBXUHORPOBQONX-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide (CID 4795044) is N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide is CN(Cc1cccc(F)c1)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide?
The InChIKey is KBXUHORPOBQONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c1-24(16-17-9-8-14-20(23)15-17)22(25)21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,21H,16H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide has a molecular weight of 333.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide is sourced from PubChem (CID 4795044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).