[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone

C16H19ClFNO3 — CID 110015623

IUPAC[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone
SMILESO=C(C1CCCC1O)N1CCOC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C16H19ClFNO3/c17-12-8-10(4-5-13(12)18)15-9-19(6-7-22-15)16(21)11-2-1-3-14(11)20/h4-5,8,11,14-15,20H,1-3,6-7,9H2
InChIKeyNHIXCZFWQSDSKC-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.54
Rot. Bonds2

About [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone

[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone (PubChem CID 110015623) has the molecular formula C16H19ClFNO3 and a molecular weight of 327.78 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone
PubChem CID110015623
Molecular FormulaC16H19ClFNO3
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone
SMILESO=C(C1CCCC1O)N1CCOC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C16H19ClFNO3/c17-12-8-10(4-5-13(12)18)15-9-19(6-7-22-15)16(21)11-2-1-3-14(11)20/h4-5,8,11,14-15,20H,1-3,6-7,9H2
InChIKeyNHIXCZFWQSDSKC-UHFFFAOYSA-N
XLogP2.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315238
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119769231
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183890
1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 119042146
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 146123039
(2S)-2-amino-1-[(2R)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-3,3-dimethylbutan-1-one
CID 99849922
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
(3-aminopyrazin-2-yl)-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 119110800
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668188
(2R)-2-(3-chloro-4-fluorophenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 129369434
2-(3-chloro-4-fluorophenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 119041502

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone (CID 110015623) is [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone is O=C(C1CCCC1O)N1CCOC(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone?
The InChIKey is NHIXCZFWQSDSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3/c17-12-8-10(4-5-13(12)18)15-9-19(6-7-22-15)16(21)11-2-1-3-14(11)20/h4-5,8,11,14-15,20H,1-3,6-7,9H2.
What are the key properties of [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone?
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone has a molecular weight of 327.78 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone is sourced from PubChem (CID 110015623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).