2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide

C10H12ClNO4 — CID 91138680

IUPAC2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CCl)c(OC)cc1O
InChIInChI=1S/C10H12ClNO4/c1-15-8-4-7(13)9(16-2)3-6(8)12-10(14)5-11/h3-4,13H,5H2,1-2H3,(H,12,14)
InChIKeyGZWJIJQVRCCJJV-UHFFFAOYSA-N
MW245.66 g/mol
LogP1.59
Rot. Bonds4

About 2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide

2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide (PubChem CID 91138680) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide
PubChem CID91138680
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CCl)c(OC)cc1O
InChIInChI=1S/C10H12ClNO4/c1-15-8-4-7(13)9(16-2)3-6(8)12-10(14)5-11/h3-4,13H,5H2,1-2H3,(H,12,14)
InChIKeyGZWJIJQVRCCJJV-UHFFFAOYSA-N
XLogP1.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
4-[(2-chloroacetyl)amino]-3-methoxybenzoic acid
CID 19099511
methyl 4-[(2-chloroacetyl)amino]-3-methoxybenzoate
CID 83318590
4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide
CID 18804059
N-[2-chloro-5-methoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513212
N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide
CID 121366040
methyl 3-[(2-chloroacetyl)amino]-4-hydroxybenzoate
CID 66521938
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
CID 43146022
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide (CID 91138680) is 2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CCl)c(OC)cc1O.
What is the InChIKey of 2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide?
The InChIKey is GZWJIJQVRCCJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-15-8-4-7(13)9(16-2)3-6(8)12-10(14)5-11/h3-4,13H,5H2,1-2H3,(H,12,14).
What are the key properties of 2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide?
2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide has a molecular weight of 245.66 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 91138680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).