[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone

C17H15ClF3N3O2 — CID 109153498

IUPAC[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1)N1CCOCC1
InChIInChI=1S/C17H15ClF3N3O2/c18-14-3-2-12(9-13(14)17(19,20)21)23-15-4-1-11(10-22-15)16(25)24-5-7-26-8-6-24/h1-4,9-10H,5-8H2,(H,22,23)
InChIKeyUQHKDMHGYOXOGC-UHFFFAOYSA-N
MW385.77 g/mol
LogP3.97
Rot. Bonds3

About [6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109153498) has the molecular formula C17H15ClF3N3O2 and a molecular weight of 385.77 g/mol. Its IUPAC name is [6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109153498
Molecular FormulaC17H15ClF3N3O2
Molecular Weight385.77 g/mol
Exact Mass385.08
IUPAC Name[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1)N1CCOCC1
InChIInChI=1S/C17H15ClF3N3O2/c18-14-3-2-12(9-13(14)17(19,20)21)23-15-4-1-11(10-22-15)16(25)24-5-7-26-8-6-24/h1-4,9-10H,5-8H2,(H,22,23)
InChIKeyUQHKDMHGYOXOGC-UHFFFAOYSA-N
XLogP3.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503
[6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 141220618
[6-(2,3-dihydro-1H-inden-5-ylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 4582787
1-[4-[6-(3,4-dichloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155276
[2-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253801
[4-[4-chloro-3-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
CID 68867250
methyl 4-chloro-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]benzoate
CID 109153479
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509700
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153089
[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252168
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155464

Frequently Asked Questions

What is the IUPAC name of [6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 109153498) is [6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1)N1CCOCC1.
What is the InChIKey of [6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is UQHKDMHGYOXOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2/c18-14-3-2-12(9-13(14)17(19,20)21)23-15-4-1-11(10-22-15)16(25)24-5-7-26-8-6-24/h1-4,9-10H,5-8H2,(H,22,23).
What are the key properties of [6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 385.77 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109153498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).