[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone

C16H14ClFN2O2 — CID 71187412

IUPAC[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccnc(-c2ccc(F)c(Cl)c2)c1)N1CCOCC1
InChIInChI=1S/C16H14ClFN2O2/c17-13-9-11(1-2-14(13)18)15-10-12(3-4-19-15)16(21)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2
InChIKeyQEWRUKYAAIQLIK-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.01
Rot. Bonds2

About [2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone

[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 71187412) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
PubChem CID71187412
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccnc(-c2ccc(F)c(Cl)c2)c1)N1CCOCC1
InChIInChI=1S/C16H14ClFN2O2/c17-13-9-11(1-2-14(13)18)15-10-12(3-4-19-15)16(21)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2
InChIKeyQEWRUKYAAIQLIK-UHFFFAOYSA-N
XLogP3.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74234077
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
N-(2,4-dichlorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082935
[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808597
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride
CID 154904026
1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea
CID 74247537
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
N-(4-fluorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082885

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone (CID 71187412) is [2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccnc(-c2ccc(F)c(Cl)c2)c1)N1CCOCC1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is QEWRUKYAAIQLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-13-9-11(1-2-14(13)18)15-10-12(3-4-19-15)16(21)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2.
What are the key properties of [2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone?
[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 320.75 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71187412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).