2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide

C11H14ClNO3 — CID 82110242

IUPAC2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CCl)c(O)c1
InChIInChI=1S/C11H14ClNO3/c1-13(11(15)6-12)7-8-3-4-9(16-2)5-10(8)14/h3-5,14H,6-7H2,1-2H3
InChIKeyGIAUDYACMQQAKZ-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.60
Rot. Bonds4

About 2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide

2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 82110242) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID82110242
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CCl)c(O)c1
InChIInChI=1S/C11H14ClNO3/c1-13(11(15)6-12)7-8-3-4-9(16-2)5-10(8)14/h3-5,14H,6-7H2,1-2H3
InChIKeyGIAUDYACMQQAKZ-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60809822
2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977637
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978542
(2-chloro-4-methoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170143
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 8945248
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide (CID 82110242) is 2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)CCl)c(O)c1.
What is the InChIKey of 2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is GIAUDYACMQQAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-13(11(15)6-12)7-8-3-4-9(16-2)5-10(8)14/h3-5,14H,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide?
2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 243.69 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 82110242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).