N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide

C19H18FN3O4 — CID 47059878

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C19H18FN3O4/c1-25-16-8-12(9-17(26-2)18(16)27-3)19(24)22-13-4-5-15(14(20)10-13)23-7-6-21-11-23/h4-11H,1-3H3,(H,22,24)
InChIKeyNQPZIKYBIAPTME-UHFFFAOYSA-N
MW371.37 g/mol
LogP3.29
Rot. Bonds6

About N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide

N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 47059878) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID47059878
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C19H18FN3O4/c1-25-16-8-12(9-17(26-2)18(16)27-3)19(24)22-13-4-5-15(14(20)10-13)23-7-6-21-11-23/h4-11H,1-3H3,(H,22,24)
InChIKeyNQPZIKYBIAPTME-UHFFFAOYSA-N
XLogP3.29
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
N-(2-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 12911567
N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 17027234
4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
CID 55856122
3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide
CID 166387467
N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide
CID 60607880
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55956166
5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 55955783
3-(3-ethoxy-4-methoxyphenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)prop-2-enamide
CID 55983180
(2S)-2-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 119860264
methyl (2S)-4-(3-fluoro-4-imidazol-1-ylanilino)-2-methyl-4-oxobutanoate
CID 97019374
2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
CID 55856249

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide (CID 47059878) is N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is NQPZIKYBIAPTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-25-16-8-12(9-17(26-2)18(16)27-3)19(24)22-13-4-5-15(14(20)10-13)23-7-6-21-11-23/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide?
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 371.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 47059878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).