4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide

C26H18Cl3FN2O2 — CID 70811091

IUPAC4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C26H18Cl3FN2O2/c27-19-6-3-17(4-7-19)25(21-9-8-20(28)13-22(21)29)34-24-10-5-18(12-23(24)30)26(33)32-15-16-2-1-11-31-14-16/h1-14,25H,15H2,(H,32,33)
InChIKeyHIRQTXVJNDUSKD-UHFFFAOYSA-N
MW515.80 g/mol
LogP7.28
Rot. Bonds7

About 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide

4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 70811091) has the molecular formula C26H18Cl3FN2O2 and a molecular weight of 515.80 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID70811091
Molecular FormulaC26H18Cl3FN2O2
Molecular Weight515.80 g/mol
Exact Mass514.04
IUPAC Name4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C26H18Cl3FN2O2/c27-19-6-3-17(4-7-19)25(21-9-8-20(28)13-22(21)29)34-24-10-5-18(12-23(24)30)26(33)32-15-16-2-1-11-31-14-16/h1-14,25H,15H2,(H,32,33)
InChIKeyHIRQTXVJNDUSKD-UHFFFAOYSA-N
XLogP7.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.80
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide (CID 70811091) is 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is HIRQTXVJNDUSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl3FN2O2/c27-19-6-3-17(4-7-19)25(21-9-8-20(28)13-22(21)29)34-24-10-5-18(12-23(24)30)26(33)32-15-16-2-1-11-31-14-16/h1-14,25H,15H2,(H,32,33).
What are the key properties of 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 515.80 g/mol, XLogP of 7.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 70811091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).