4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide

C26H23ClFN3O3 — CID 55454041

IUPAC4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(c2cccc(F)c2)c2nccn2C)ccc1OCc1ccccc1Cl
InChIInChI=1S/C26H23ClFN3O3/c1-31-13-12-29-25(31)24(17-7-5-8-20(28)14-17)30-26(32)18-10-11-22(23(15-18)33-2)34-16-19-6-3-4-9-21(19)27/h3-15,24H,16H2,1-2H3,(H,30,32)
InChIKeyCLFDFSQYTBLDMN-UHFFFAOYSA-N
MW479.94 g/mol
LogP5.32
Rot. Bonds8

About 4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide

4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide (PubChem CID 55454041) has the molecular formula C26H23ClFN3O3 and a molecular weight of 479.94 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide
PubChem CID55454041
Molecular FormulaC26H23ClFN3O3
Molecular Weight479.94 g/mol
Exact Mass479.14
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(c2cccc(F)c2)c2nccn2C)ccc1OCc1ccccc1Cl
InChIInChI=1S/C26H23ClFN3O3/c1-31-13-12-29-25(31)24(17-7-5-8-20(28)14-17)30-26(32)18-10-11-22(23(15-18)33-2)34-16-19-6-3-4-9-21(19)27/h3-15,24H,16H2,1-2H3,(H,30,32)
InChIKeyCLFDFSQYTBLDMN-UHFFFAOYSA-N
XLogP5.32
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.94
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide (CID 55454041) is 4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide is COc1cc(C(=O)NC(c2cccc(F)c2)c2nccn2C)ccc1OCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide?
The InChIKey is CLFDFSQYTBLDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O3/c1-31-13-12-29-25(31)24(17-7-5-8-20(28)14-17)30-26(32)18-10-11-22(23(15-18)33-2)34-16-19-6-3-4-9-21(19)27/h3-15,24H,16H2,1-2H3,(H,30,32).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide?
4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide has a molecular weight of 479.94 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 55454041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).