N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide

C19H18FN3O2 — CID 136527948

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c(C)c1
InChIInChI=1S/C19H18FN3O2/c1-13-9-15(25-2)4-5-16(13)19(24)22-11-14-3-6-18(17(20)10-14)23-8-7-21-12-23/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyUIYJYXBOKMNWTG-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.26
Rot. Bonds5

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide (PubChem CID 136527948) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
PubChem CID136527948
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c(C)c1
InChIInChI=1S/C19H18FN3O2/c1-13-9-15(25-2)4-5-16(13)19(24)22-11-14-3-6-18(17(20)10-14)23-8-7-21-12-23/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyUIYJYXBOKMNWTG-UHFFFAOYSA-N
XLogP3.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide (CID 136527948) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide is COc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c(C)c1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide?
The InChIKey is UIYJYXBOKMNWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-9-15(25-2)4-5-16(13)19(24)22-11-14-3-6-18(17(20)10-14)23-8-7-21-12-23/h3-10,12H,11H2,1-2H3,(H,22,24).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide has a molecular weight of 339.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 136527948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).