4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide

C28H24ClFN2O2 — CID 135187840

IUPAC4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1
InChIInChI=1S/C28H24ClFN2O2/c29-25-8-6-24(7-9-25)28(33)32(19-22-12-15-31-16-13-22)20-23-2-1-3-27(18-23)34-17-14-21-4-10-26(30)11-5-21/h1-13,15-16,18H,14,17,19-20H2
InChIKeyFBJCRXMJZDRJQE-UHFFFAOYSA-N
MW474.96 g/mol
LogP6.34
Rot. Bonds9

About 4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide

4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 135187840) has the molecular formula C28H24ClFN2O2 and a molecular weight of 474.96 g/mol. Its IUPAC name is 4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID135187840
Molecular FormulaC28H24ClFN2O2
Molecular Weight474.96 g/mol
Exact Mass474.15
IUPAC Name4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1
InChIInChI=1S/C28H24ClFN2O2/c29-25-8-6-24(7-9-25)28(33)32(19-22-12-15-31-16-13-22)20-23-2-1-3-27(18-23)34-17-14-21-4-10-26(30)11-5-21/h1-13,15-16,18H,14,17,19-20H2
InChIKeyFBJCRXMJZDRJQE-UHFFFAOYSA-N
XLogP6.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.96
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide (CID 135187840) is 4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide is O=C(c1ccc(Cl)cc1)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is FBJCRXMJZDRJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN2O2/c29-25-8-6-24(7-9-25)28(33)32(19-22-12-15-31-16-13-22)20-23-2-1-3-27(18-23)34-17-14-21-4-10-26(30)11-5-21/h1-13,15-16,18H,14,17,19-20H2.
What are the key properties of 4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 474.96 g/mol, XLogP of 6.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 135187840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).