2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

C23H20FNO3 — CID 55555108

IUPAC2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FNO3/c1-25(15-16-7-13-19(28-2)14-8-16)23(27)21-6-4-3-5-20(21)22(26)17-9-11-18(24)12-10-17/h3-14H,15H2,1-2H3
InChIKeyUCGVAQGXEZCOJJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.34
Rot. Bonds6

About 2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 55555108) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID55555108
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FNO3/c1-25(15-16-7-13-19(28-2)14-8-16)23(27)21-6-4-3-5-20(21)22(26)17-9-11-18(24)12-10-17/h3-14H,15H2,1-2H3
InChIKeyUCGVAQGXEZCOJJ-UHFFFAOYSA-N
XLogP4.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
CID 25465829
ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
CID 21463059
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 46790237
2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate
CID 7870307
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (CID 55555108) is 2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is UCGVAQGXEZCOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c1-25(15-16-7-13-19(28-2)14-8-16)23(27)21-6-4-3-5-20(21)22(26)17-9-11-18(24)12-10-17/h3-14H,15H2,1-2H3.
What are the key properties of 2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 377.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 55555108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).