2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide

C11H15ClN2O2 — CID 82977249

IUPAC2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-13-11(16)7-14(2)6-8-3-4-10(15)9(12)5-8/h3-5,15H,6-7H2,1-2H3,(H,13,16)
InChIKeyCEXRFWJKRGTBSX-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.22
Rot. Bonds4

About 2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide

2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide (PubChem CID 82977249) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide
PubChem CID82977249
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-13-11(16)7-14(2)6-8-3-4-10(15)9(12)5-8/h3-5,15H,6-7H2,1-2H3,(H,13,16)
InChIKeyCEXRFWJKRGTBSX-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

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Related Compounds

2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 107878095
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
CID 142098901
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103737026
N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
CID 9251458
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 106788019
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide (CID 82977249) is 2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide?
The InChIKey is CEXRFWJKRGTBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-13-11(16)7-14(2)6-8-3-4-10(15)9(12)5-8/h3-5,15H,6-7H2,1-2H3,(H,13,16).
What are the key properties of 2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide?
2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide 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-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 82977249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).