2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide

C19H22ClN2O3+ — CID 7315056

IUPAC2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O3/c20-17-3-1-2-4-18(17)25-14-19(23)21-16-7-5-15(6-8-16)13-22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23)/p+1
InChIKeyAOHMSVQSTLQNPO-UHFFFAOYSA-O
MW361.85 g/mol
LogP1.77
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide

2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide (PubChem CID 7315056) has the molecular formula C19H22ClN2O3+ and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
PubChem CID7315056
Molecular FormulaC19H22ClN2O3+
Molecular Weight361.85 g/mol
Exact Mass361.13
IUPAC Name2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O3/c20-17-3-1-2-4-18(17)25-14-19(23)21-16-7-5-15(6-8-16)13-22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23)/p+1
InChIKeyAOHMSVQSTLQNPO-UHFFFAOYSA-O
XLogP1.77
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
CID 9338299
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
2-(2-chlorophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787980
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
2-(2-ethoxyphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 108754559

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide (CID 7315056) is 2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide is O=C(COc1ccccc1Cl)Nc1ccc(C[NH+]2CCOCC2)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
The InChIKey is AOHMSVQSTLQNPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21ClN2O3/c20-17-3-1-2-4-18(17)25-14-19(23)21-16-7-5-15(6-8-16)13-22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23)/p+1.
What are the key properties of 2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide has a molecular weight of 361.85 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 7315056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).