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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Related Compounds

N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzoyl]piperidine-3-carboxamide
CID 121317995
4-Chloro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-[5-(morpholin-4-yl)pyridin-3-yl]ethynyl]benzamide
CID 123752658
4-(3-chloropyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 11428847
N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)benzamide
CID 11451387
5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 44571915
N-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58920845
N-(4-Chlorophenyl)-5,5-difluoro-1-(3-(pyridin-4-yl)benzoyl)piperidine-3-carboxamide
CID 121317958
N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide
CID 121317970
N-(4-Chlorophenyl)-5,5-difluoro-1-[3-(2-pyridinyl)benzoyl]-3-piperidinecarboxamide
CID 121329877
4-chloro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyridin-3-ylethynyl)benzamide
CID 134142284
4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-3-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 168279352
4-methyl-3-(4-morpholin-4-ylpyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86296700

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).