3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide

C21H22FN3O3 — CID 47799517

IUPAC3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1OCC
InChIInChI=1S/C21H22FN3O3/c1-3-27-19-8-6-16(12-20(19)28-4-2)21(26)24-13-15-5-7-18(17(22)11-15)25-10-9-23-14-25/h5-12,14H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyJOQOBWKBGYNARJ-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.74
Rot. Bonds8

About 3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide

3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 47799517) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
PubChem CID47799517
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1OCC
InChIInChI=1S/C21H22FN3O3/c1-3-27-19-8-6-16(12-20(19)28-4-2)21(26)24-13-15-5-7-18(17(22)11-15)25-10-9-23-14-25/h5-12,14H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyJOQOBWKBGYNARJ-UHFFFAOYSA-N
XLogP3.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 47074711
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
CID 136527948
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 47799498
4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47737555
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47738088
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 47933184
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769
3-ethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-nitroaniline
CID 133468719

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide (CID 47799517) is 3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
The InChIKey is JOQOBWKBGYNARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-3-27-19-8-6-16(12-20(19)28-4-2)21(26)24-13-15-5-7-18(17(22)11-15)25-10-9-23-14-25/h5-12,14H,3-4,13H2,1-2H3,(H,24,26).
What are the key properties of 3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide?
3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide has a molecular weight of 383.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 47799517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).