4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide

C24H21ClF3N3O3 — CID 66919046

IUPAC4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccc(Cl)c(-c4ccc(OC(F)(F)F)cc4)c3)cn2)CCO1
InChIInChI=1S/C24H21ClF3N3O3/c1-15-14-31(10-11-33-15)22-9-5-18(13-29-22)30-23(32)17-4-8-21(25)20(12-17)16-2-6-19(7-3-16)34-24(26,27)28/h2-9,12-13,15H,10-11,14H2,1H3,(H,30,32)
InChIKeyPXKCUFSDXPFVOV-UHFFFAOYSA-N
MW491.90 g/mol
LogP5.78
Rot. Bonds5

About 4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide

4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 66919046) has the molecular formula C24H21ClF3N3O3 and a molecular weight of 491.90 g/mol. Its IUPAC name is 4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID66919046
Molecular FormulaC24H21ClF3N3O3
Molecular Weight491.90 g/mol
Exact Mass491.12
IUPAC Name4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccc(Cl)c(-c4ccc(OC(F)(F)F)cc4)c3)cn2)CCO1
InChIInChI=1S/C24H21ClF3N3O3/c1-15-14-31(10-11-33-15)22-9-5-18(13-29-22)30-23(32)17-4-8-21(25)20(12-17)16-2-6-19(7-3-16)34-24(26,27)28/h2-9,12-13,15H,10-11,14H2,1H3,(H,30,32)
InChIKeyPXKCUFSDXPFVOV-UHFFFAOYSA-N
XLogP5.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.90
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide (CID 66919046) is 4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide is CC1CN(c2ccc(NC(=O)c3ccc(Cl)c(-c4ccc(OC(F)(F)F)cc4)c3)cn2)CCO1.
What is the InChIKey of 4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is PXKCUFSDXPFVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O3/c1-15-14-31(10-11-33-15)22-9-5-18(13-29-22)30-23(32)17-4-8-21(25)20(12-17)16-2-6-19(7-3-16)34-24(26,27)28/h2-9,12-13,15H,10-11,14H2,1H3,(H,30,32).
What are the key properties of 4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 491.90 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 66919046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).