4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide

C24H21ClF3N3O2 — CID 11511257

IUPAC4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2Cl)cc1CN1CCOCC1
InChIInChI=1S/C24H21ClF3N3O2/c25-21-2-1-9-29-22(21)16-3-8-20(17(14-16)15-31-10-12-33-13-11-31)23(32)30-19-6-4-18(5-7-19)24(26,27)28/h1-9,14H,10-13,15H2,(H,30,32)
InChIKeyGPQJCDCFYDQZGD-UHFFFAOYSA-N
MW475.90 g/mol
LogP5.51
Rot. Bonds5

About 4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide

4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 11511257) has the molecular formula C24H21ClF3N3O2 and a molecular weight of 475.90 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID11511257
Molecular FormulaC24H21ClF3N3O2
Molecular Weight475.90 g/mol
Exact Mass475.13
IUPAC Name4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2Cl)cc1CN1CCOCC1
InChIInChI=1S/C24H21ClF3N3O2/c25-21-2-1-9-29-22(21)16-3-8-20(17(14-16)15-31-10-12-33-13-11-31)23(32)30-19-6-4-18(5-7-19)24(26,27)28/h1-9,14H,10-13,15H2,(H,30,32)
InChIKeyGPQJCDCFYDQZGD-UHFFFAOYSA-N
XLogP5.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.90
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 11511257) is 4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2Cl)cc1CN1CCOCC1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GPQJCDCFYDQZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O2/c25-21-2-1-9-29-22(21)16-3-8-20(17(14-16)15-31-10-12-33-13-11-31)23(32)30-19-6-4-18(5-7-19)24(26,27)28/h1-9,14H,10-13,15H2,(H,30,32).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 475.90 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 11511257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).