2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide

C11H15ClN2O2 — CID 112568736

IUPAC2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cccc(Cl)c1O
InChIInChI=1S/C11H15ClN2O2/c1-14(2)10(15)7-13-6-8-4-3-5-9(12)11(8)16/h3-5,13,16H,6-7H2,1-2H3
InChIKeyZZQWRRGUOFLTCY-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.22
Rot. Bonds4

About 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide

2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide (PubChem CID 112568736) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
PubChem CID112568736
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cccc(Cl)c1O
InChIInChI=1S/C11H15ClN2O2/c1-14(2)10(15)7-13-6-8-4-3-5-9(12)11(8)16/h3-5,13,16H,6-7H2,1-2H3
InChIKeyZZQWRRGUOFLTCY-UHFFFAOYSA-N
XLogP1.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(naphthalen-1-ylmethylamino)acetamide
CID 21468663
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-diethylpropanamide
CID 112554135
2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 114132352
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591
2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol
CID 112568738
2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 115951452
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103923775
N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide
CID 112554364
2-[(2-chloro-4-cyanophenyl)methylamino]-N,N-dimethylacetamide
CID 102664033
2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 112554690

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide (CID 112568736) is 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNCc1cccc(Cl)c1O.
What is the InChIKey of 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide?
The InChIKey is ZZQWRRGUOFLTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14(2)10(15)7-13-6-8-4-3-5-9(12)11(8)16/h3-5,13,16H,6-7H2,1-2H3.
What are the key properties of 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide?
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide has a molecular weight of 242.71 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 112568736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).