4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone

C32H30Cl2F2N4O3 — CID 160635844

IUPAC4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone
SMILESFC(F)(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1.O=C(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C16H15ClF2N2O.C16H15ClN2O2/c17-14-10-13(16(18,19)12-4-2-1-3-5-12)11-15(20-14)21-6-8-22-9-7-21;17-14-10-13(16(20)12-4-2-1-3-5-12)11-15(18-14)19-6-8-21-9-7-19/h1-5,10-11H,6-9H2;1-5,10-11H,6-9H2
InChIKeyRINHSESAWLXAAO-UHFFFAOYSA-N
MW627.52 g/mol
LogP6.51
Rot. Bonds6

About 4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone

4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone (PubChem CID 160635844) has the molecular formula C32H30Cl2F2N4O3 and a molecular weight of 627.52 g/mol. Its IUPAC name is 4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone
PubChem CID160635844
Molecular FormulaC32H30Cl2F2N4O3
Molecular Weight627.52 g/mol
Exact Mass626.17
IUPAC Name4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone
SMILESFC(F)(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1.O=C(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C16H15ClF2N2O.C16H15ClN2O2/c17-14-10-13(16(18,19)12-4-2-1-3-5-12)11-15(20-14)21-6-8-22-9-7-21;17-14-10-13(16(20)12-4-2-1-3-5-12)11-15(18-14)19-6-8-21-9-7-19/h1-5,10-11H,6-9H2;1-5,10-11H,6-9H2
InChIKeyRINHSESAWLXAAO-UHFFFAOYSA-N
XLogP6.51
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.52
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,6-Dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 146705031
(E)-1-(4-chlorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-en-1-one
CID 24426477
[4-[2-Chloro-6-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 11618264
(2-Chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone
CID 146173248
[2-(2-Aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-phenylmethanone;(2,6-dichloro-4-pyridinyl)-phenylmethanone
CID 159254993
1-[4-[(2-Chloro-6-morpholin-4-yl-4-pyridinyl)amino]phenyl]ethanone;1-[4-[(2,6-dichloro-4-pyridinyl)amino]phenyl]ethanone;morpholine
CID 161395464
4-[4-Chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde
CID 165003980
(E)-1-(3-chlorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-en-1-one
CID 8106782
1-(3-Chlorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-en-1-one
CID 72079374
2-[2-(6-Azaspiro[2.5]octan-6-yl)-6-chloro-3-pyridinyl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone
CID 163633251

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone?
The IUPAC name of 4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone (CID 160635844) is 4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone.
What is the SMILES notation for 4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone?
The canonical SMILES for 4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone is FC(F)(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1.O=C(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1.
What is the InChIKey of 4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone?
The InChIKey is RINHSESAWLXAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O.C16H15ClN2O2/c17-14-10-13(16(18,19)12-4-2-1-3-5-12)11-15(20-14)21-6-8-22-9-7-21;17-14-10-13(16(20)12-4-2-1-3-5-12)11-15(18-14)19-6-8-21-9-7-19/h1-5,10-11H,6-9H2;1-5,10-11H,6-9H2.
What are the key properties of 4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone?
4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone has a molecular weight of 627.52 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone is sourced from PubChem (CID 160635844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).