4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide

C28H23F2NO3 — CID 141432571

IUPAC4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(Oc3ccccc3F)cc2)c1
InChIInChI=1S/C28H23F2NO3/c1-33-25-9-5-7-21(17-25)19-31(18-20-6-4-8-23(29)16-20)28(32)22-12-14-24(15-13-22)34-27-11-3-2-10-26(27)30/h2-17H,18-19H2,1H3
InChIKeyDNIFGUWTYSSOAG-UHFFFAOYSA-N
MW459.49 g/mol
LogP6.61
Rot. Bonds8

About 4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide

4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 141432571) has the molecular formula C28H23F2NO3 and a molecular weight of 459.49 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID141432571
Molecular FormulaC28H23F2NO3
Molecular Weight459.49 g/mol
Exact Mass459.16
IUPAC Name4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(Oc3ccccc3F)cc2)c1
InChIInChI=1S/C28H23F2NO3/c1-33-25-9-5-7-21(17-25)19-31(18-20-6-4-8-23(29)16-20)28(32)22-12-14-24(15-13-22)34-27-11-3-2-10-26(27)30/h2-17H,18-19H2,1H3
InChIKeyDNIFGUWTYSSOAG-UHFFFAOYSA-N
XLogP6.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.49
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide (CID 141432571) is 4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(Oc3ccccc3F)cc2)c1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is DNIFGUWTYSSOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2NO3/c1-33-25-9-5-7-21(17-25)19-31(18-20-6-4-8-23(29)16-20)28(32)22-12-14-24(15-13-22)34-27-11-3-2-10-26(27)30/h2-17H,18-19H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 459.49 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-[(3-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 141432571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).