N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide

C17H18FNO — CID 34485315

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C17H18FNO/c1-11-4-7-15(13(3)8-11)17(20)19-10-14-6-5-12(2)16(18)9-14/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyQDAPQAJBHLEELD-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.68
Rot. Bonds3

About N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide

N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide (PubChem CID 34485315) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
PubChem CID34485315
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C17H18FNO/c1-11-4-7-15(13(3)8-11)17(20)19-10-14-6-5-12(2)16(18)9-14/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyQDAPQAJBHLEELD-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
CID 80978985
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N-[[4-(bromomethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233714
2-amino-4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 79714917
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122928
N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
CID 100720245
4-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-2-nitrobenzamide
CID 25316318
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
CID 107233356
2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide
CID 167771405

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide (CID 34485315) is N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2ccc(C)c(F)c2)c(C)c1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide?
The InChIKey is QDAPQAJBHLEELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-4-7-15(13(3)8-11)17(20)19-10-14-6-5-12(2)16(18)9-14/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide has a molecular weight of 271.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 34485315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).