3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide

C32H32FN3O3 — CID 30852933

IUPAC3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(-c2ccc(F)cc2)c1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1
InChIInChI=1S/C32H32FN3O3/c33-29-12-10-26(11-13-29)27-6-4-7-28(22-27)32(37)36(24-30-8-1-2-14-34-30)23-25-5-3-9-31(21-25)39-20-17-35-15-18-38-19-16-35/h1-14,21-22H,15-20,23-24H2
InChIKeyQVDMHUIQUYDEFI-UHFFFAOYSA-N
MW525.62 g/mol
LogP5.44
Rot. Bonds10

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

3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 30852933) has the molecular formula C32H32FN3O3 and a molecular weight of 525.62 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID30852933
Molecular FormulaC32H32FN3O3
Molecular Weight525.62 g/mol
Exact Mass525.24
IUPAC Name3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(-c2ccc(F)cc2)c1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1
InChIInChI=1S/C32H32FN3O3/c33-29-12-10-26(11-13-29)27-6-4-7-28(22-27)32(37)36(24-30-8-1-2-14-34-30)23-25-5-3-9-31(21-25)39-20-17-35-15-18-38-19-16-35/h1-14,21-22H,15-20,23-24H2
InChIKeyQVDMHUIQUYDEFI-UHFFFAOYSA-N
XLogP5.44
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.62
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 30852933) is 3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide is O=C(c1cccc(-c2ccc(F)cc2)c1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is QVDMHUIQUYDEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN3O3/c33-29-12-10-26(11-13-29)27-6-4-7-28(22-27)32(37)36(24-30-8-1-2-14-34-30)23-25-5-3-9-31(21-25)39-20-17-35-15-18-38-19-16-35/h1-14,21-22H,15-20,23-24H2.
What are the key properties of 3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 525.62 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 30852933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).