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

C18H20FNO — CID 79763940

IUPACN-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C)cc2F)c(C)c1
InChIInChI=1S/C18H20FNO/c1-12-5-7-15(14(3)9-12)11-20(4)18(21)16-8-6-13(2)10-17(16)19/h5-10H,11H2,1-4H3
InChIKeyJTMZHQDIIAKHEM-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.02
Rot. Bonds3

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

N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide (PubChem CID 79763940) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
PubChem CID79763940
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C)cc2F)c(C)c1
InChIInChI=1S/C18H20FNO/c1-12-5-7-15(14(3)9-12)11-20(4)18(21)16-8-6-13(2)10-17(16)19/h5-10H,11H2,1-4H3
InChIKeyJTMZHQDIIAKHEM-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62648755
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79770462
2-fluoro-N,4-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698004
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 32895401
2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917420
5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18117131
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide (CID 79763940) is N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide is Cc1ccc(CN(C)C(=O)c2ccc(C)cc2F)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide?
The InChIKey is JTMZHQDIIAKHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-5-7-15(14(3)9-12)11-20(4)18(21)16-8-6-13(2)10-17(16)19/h5-10H,11H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide?
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide has a molecular weight of 285.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide is sourced from PubChem (CID 79763940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).