2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide

C12H17ClN2O3 — CID 113229720

IUPAC2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1cc(Cl)ccc1O
InChIInChI=1S/C12H17ClN2O3/c1-18-5-4-15-12(17)8-14-7-9-6-10(13)2-3-11(9)16/h2-3,6,14,16H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyMBFBVYMLUAGCKU-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.90
Rot. Bonds7

About 2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 113229720) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID113229720
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1cc(Cl)ccc1O
InChIInChI=1S/C12H17ClN2O3/c1-18-5-4-15-12(17)8-14-7-9-6-10(13)2-3-11(9)16/h2-3,6,14,16H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyMBFBVYMLUAGCKU-UHFFFAOYSA-N
XLogP0.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115590337
2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112685455
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560
4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577293
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115695765
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
3-[(5-chloro-2-nitrophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115642667
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide
CID 66158893

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide (CID 113229720) is 2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCc1cc(Cl)ccc1O.
What is the InChIKey of 2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is MBFBVYMLUAGCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-18-5-4-15-12(17)8-14-7-9-6-10(13)2-3-11(9)16/h2-3,6,14,16H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of 2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 272.73 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113229720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).