2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide

C14H19ClN2O3 — CID 115323843

IUPAC2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCC1CNCCO1
InChIInChI=1S/C14H19ClN2O3/c1-10(20-12-4-2-3-11(15)7-12)14(18)17-9-13-8-16-5-6-19-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyQIZOOZYIJKAIEW-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.21
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide

2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide (PubChem CID 115323843) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide
PubChem CID115323843
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCC1CNCCO1
InChIInChI=1S/C14H19ClN2O3/c1-10(20-12-4-2-3-11(15)7-12)14(18)17-9-13-8-16-5-6-19-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyQIZOOZYIJKAIEW-UHFFFAOYSA-N
XLogP1.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-[2-(3-chlorophenoxy)propyl]morpholine-2-carboxamide;hydrochloride
CID 119807139
(2R)-2-(3-chlorophenoxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 38450169
2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006623
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
5-chloro-2-hydroxy-N-(morpholin-2-ylmethyl)benzamide
CID 115323836

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide (CID 115323843) is 2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)NCC1CNCCO1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide?
The InChIKey is QIZOOZYIJKAIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-10(20-12-4-2-3-11(15)7-12)14(18)17-9-13-8-16-5-6-19-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide?
2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide has a molecular weight of 298.77 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide is sourced from PubChem (CID 115323843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).