N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide

C24H25FN2O — CID 70826265

IUPACN-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide
SMILESCc1cccc(-c2c(CN(C)C)ccc(NC(=O)c3ccc(F)cc3)c2C)c1
InChIInChI=1S/C24H25FN2O/c1-16-6-5-7-19(14-16)23-17(2)22(13-10-20(23)15-27(3)4)26-24(28)18-8-11-21(25)12-9-18/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyAMIYRDZZKUYQFG-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.42
Rot. Bonds5

About N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide

N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide (PubChem CID 70826265) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide
PubChem CID70826265
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC NameN-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide
SMILESCc1cccc(-c2c(CN(C)C)ccc(NC(=O)c3ccc(F)cc3)c2C)c1
InChIInChI=1S/C24H25FN2O/c1-16-6-5-7-19(14-16)23-17(2)22(13-10-20(23)15-27(3)4)26-24(28)18-8-11-21(25)12-9-18/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyAMIYRDZZKUYQFG-UHFFFAOYSA-N
XLogP5.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
CID 113368778
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide
CID 78775101
4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
CID 7463129
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 31969058
4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046917
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
4-fluoro-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61036384
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide (CID 70826265) is N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide is Cc1cccc(-c2c(CN(C)C)ccc(NC(=O)c3ccc(F)cc3)c2C)c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide?
The InChIKey is AMIYRDZZKUYQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-16-6-5-7-19(14-16)23-17(2)22(13-10-20(23)15-27(3)4)26-24(28)18-8-11-21(25)12-9-18/h5-14H,15H2,1-4H3,(H,26,28).
What are the key properties of N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide?
N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide has a molecular weight of 376.48 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-2-methyl-3-(3-methylphenyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 70826265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).