N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride

C13H18ClIN2O2 — CID 119680387

IUPACN-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CC2CNCCO2)cc1I.Cl
InChIInChI=1S/C13H17IN2O2.ClH/c1-9-2-3-10(6-12(9)14)16-13(17)7-11-8-15-4-5-18-11;/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17);1H
InChIKeyFKDJNOOVUNASPW-UHFFFAOYSA-N
MW396.66 g/mol
LogP2.34
Rot. Bonds3

About N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride

N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride (PubChem CID 119680387) has the molecular formula C13H18ClIN2O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
PubChem CID119680387
Molecular FormulaC13H18ClIN2O2
Molecular Weight396.66 g/mol
Exact Mass396.01
IUPAC NameN-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CC2CNCCO2)cc1I.Cl
InChIInChI=1S/C13H17IN2O2.ClH/c1-9-2-3-10(6-12(9)14)16-13(17)7-11-8-15-4-5-18-11;/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17);1H
InChIKeyFKDJNOOVUNASPW-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.66
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
CID 66427265
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119669231
N-(3,4-dichlorophenyl)-2-morpholin-2-ylacetamide
CID 66435697
N-(2-methyl-4-pyridinyl)-2-morpholin-2-ylacetamide
CID 79241107
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66428523
2-methyl-N-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119685269
N-(4-bromo-3-fluorophenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119706261
methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride
CID 119671383
N-(5-methyl-3-pyridinyl)-2-morpholin-2-ylacetamide;dihydrochloride
CID 119884723
N-(2,6-dimethylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119676388
N-[4-(diethylamino)phenyl]-2-morpholin-2-ylacetamide
CID 66434949

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride (CID 119680387) is N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride is Cc1ccc(NC(=O)CC2CNCCO2)cc1I.Cl.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride?
The InChIKey is FKDJNOOVUNASPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O2.ClH/c1-9-2-3-10(6-12(9)14)16-13(17)7-11-8-15-4-5-18-11;/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride?
N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride has a molecular weight of 396.66 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119680387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).