[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone

C16H20ClFN2O2 — CID 155800553

IUPAC[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(Cc2c(F)cccc2Cl)CCO1)N1CCCC1
InChIInChI=1S/C16H20ClFN2O2/c17-13-4-3-5-14(18)12(13)10-19-8-9-22-15(11-19)16(21)20-6-1-2-7-20/h3-5,15H,1-2,6-11H2
InChIKeyGSFNTGYLAGSAHM-UHFFFAOYSA-N
MW326.80 g/mol
LogP2.30
Rot. Bonds3

About [4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone

[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155800553) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is [4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155800553
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC Name[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(Cc2c(F)cccc2Cl)CCO1)N1CCCC1
InChIInChI=1S/C16H20ClFN2O2/c17-13-4-3-5-14(18)12(13)10-19-8-9-22-15(11-19)16(21)20-6-1-2-7-20/h3-5,15H,1-2,6-11H2
InChIKeyGSFNTGYLAGSAHM-UHFFFAOYSA-N
XLogP2.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800439
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078179
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
4-[(2,6-dichlorophenyl)methyl]morpholine-2-carbothioamide
CID 79681122
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3148930
3-fluoro-4-[[2-(piperidine-1-carbonyl)morpholin-4-yl]methyl]benzonitrile
CID 146078095
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 43923255
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155800553) is [4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(Cc2c(F)cccc2Cl)CCO1)N1CCCC1.
What is the InChIKey of [4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GSFNTGYLAGSAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c17-13-4-3-5-14(18)12(13)10-19-8-9-22-15(11-19)16(21)20-6-1-2-7-20/h3-5,15H,1-2,6-11H2.
What are the key properties of [4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.80 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155800553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).