N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide

C17H18FNO — CID 79791419

IUPACN-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C17H18FNO/c1-3-13-6-4-5-7-14(13)11-19-17(20)15-9-8-12(2)10-16(15)18/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyRZDKDQYFBGXVGY-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.63
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide

N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide (PubChem CID 79791419) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
PubChem CID79791419
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC NameN-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C17H18FNO/c1-3-13-6-4-5-7-14(13)11-19-17(20)15-9-8-12(2)10-16(15)18/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyRZDKDQYFBGXVGY-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941364
4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide
CID 103731815
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
CID 107233356
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
2-fluoro-4-methyl-N-(2-propylphenyl)benzamide
CID 79778827
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
CID 64693951
2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
CID 64682133

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide (CID 79791419) is N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide is CCc1ccccc1CNC(=O)c1ccc(C)cc1F.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide?
The InChIKey is RZDKDQYFBGXVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-3-13-6-4-5-7-14(13)11-19-17(20)15-9-8-12(2)10-16(15)18/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide?
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide has a molecular weight of 271.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 79791419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).