N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide

C13H18ClN2O2+ — CID 6993865

IUPACN-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1c(Cl)cccc1NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c1-10-11(14)3-2-4-12(10)15-13(17)9-16-5-7-18-8-6-16/h2-4H,5-9H2,1H3,(H,15,17)/p+1
InChIKeyDNZVWXBQUZUCSH-UHFFFAOYSA-O
MW269.75 g/mol
LogP0.50
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide

N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 6993865) has the molecular formula C13H18ClN2O2+ and a molecular weight of 269.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID6993865
Molecular FormulaC13H18ClN2O2+
Molecular Weight269.75 g/mol
Exact Mass269.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1c(Cl)cccc1NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c1-10-11(14)3-2-4-12(10)15-13(17)9-16-5-7-18-8-6-16/h2-4H,5-9H2,1H3,(H,15,17)/p+1
InChIKeyDNZVWXBQUZUCSH-UHFFFAOYSA-O
XLogP0.50
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435108
N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 7165141
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 9033863
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 9028740
N-(3-chloro-2-methylphenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
CID 9035450
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-methylphenyl)acetamide
CID 9435104
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6951792
N-(2-chlorophenyl)-2-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9434312

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide (CID 6993865) is N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide is Cc1c(Cl)cccc1NC(=O)C[NH+]1CCOCC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is DNZVWXBQUZUCSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17ClN2O2/c1-10-11(14)3-2-4-12(10)15-13(17)9-16-5-7-18-8-6-16/h2-4H,5-9H2,1H3,(H,15,17)/p+1.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 269.75 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 6993865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).