(2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide

C14H19ClN2O3 — CID 7346204

IUPAC(2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)NN1CCOCC1
InChIInChI=1S/C14H19ClN2O3/c1-2-13(20-12-5-3-4-11(15)10-12)14(18)16-17-6-8-19-9-7-17/h3-5,10,13H,2,6-9H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyPHLZFJUUBRFXOD-CYBMUJFWSA-N
MW298.77 g/mol
LogP1.86
Rot. Bonds5

About (2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide

(2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide (PubChem CID 7346204) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide
PubChem CID7346204
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)NN1CCOCC1
InChIInChI=1S/C14H19ClN2O3/c1-2-13(20-12-5-3-4-11(15)10-12)14(18)16-17-6-8-19-9-7-17/h3-5,10,13H,2,6-9H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyPHLZFJUUBRFXOD-CYBMUJFWSA-N
XLogP1.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 132760616
2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133186777
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 27234131
(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 28564718
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
4-[2-(3-chlorophenoxy)butanoylamino]benzoic acid
CID 43886456
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide (CID 7346204) is (2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide is CC[C@@H](Oc1cccc(Cl)c1)C(=O)NN1CCOCC1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide?
The InChIKey is PHLZFJUUBRFXOD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-2-13(20-12-5-3-4-11(15)10-12)14(18)16-17-6-8-19-9-7-17/h3-5,10,13H,2,6-9H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide?
(2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide has a molecular weight of 298.77 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide is sourced from PubChem (CID 7346204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).