4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide

C21H18FNO — CID 46591421

IUPAC4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H18FNO/c1-23(21(24)19-11-13-20(22)14-12-19)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyVKKIHMYPIQDMBB-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.76
Rot. Bonds4

About 4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide

4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide (PubChem CID 46591421) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
PubChem CID46591421
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H18FNO/c1-23(21(24)19-11-13-20(22)14-12-19)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyVKKIHMYPIQDMBB-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide (CID 46591421) is 4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide is CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide?
The InChIKey is VKKIHMYPIQDMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c1-23(21(24)19-11-13-20(22)14-12-19)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide?
4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide has a molecular weight of 319.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide is sourced from PubChem (CID 46591421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).