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

C20H20FN3O4 — CID 60584920

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H20FN3O4/c1-26-17-9-14(10-18(27-2)19(17)28-3)20(25)23-11-13-4-5-16(15(21)8-13)24-7-6-22-12-24/h4-10,12H,11H2,1-3H3,(H,23,25)
InChIKeyWTXGXYYOVLNLQL-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.97
Rot. Bonds7

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

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 60584920) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID60584920
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H20FN3O4/c1-26-17-9-14(10-18(27-2)19(17)28-3)20(25)23-11-13-4-5-16(15(21)8-13)24-7-6-22-12-24/h4-10,12H,11H2,1-3H3,(H,23,25)
InChIKeyWTXGXYYOVLNLQL-UHFFFAOYSA-N
XLogP2.97
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878
3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 47799517
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 47799498
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
CID 136527948
(E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 60584791
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 47074711
(E)-3-(2,4-dimethoxyphenyl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 60585064
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 47933184
N-(2-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 12911567

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide (CID 60584920) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc(OC)c1OC.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is WTXGXYYOVLNLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-26-17-9-14(10-18(27-2)19(17)28-3)20(25)23-11-13-4-5-16(15(21)8-13)24-7-6-22-12-24/h4-10,12H,11H2,1-3H3,(H,23,25).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 385.40 g/mol, XLogP of 2.97, 7 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)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 60584920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).