2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C14H18ClNO4 — CID 67800169

IUPAC2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CCl)C(O)CC2
InChIInChI=1S/C14H18ClNO4/c1-19-11-5-8-3-4-10(17)14(16-13(18)7-15)9(8)6-12(11)20-2/h5-6,10,14,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyNYMUWKPJGVOQQQ-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.41
Rot. Bonds4

About 2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 67800169) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID67800169
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CCl)C(O)CC2
InChIInChI=1S/C14H18ClNO4/c1-19-11-5-8-3-4-10(17)14(16-13(18)7-15)9(8)6-12(11)20-2/h5-6,10,14,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyNYMUWKPJGVOQQQ-UHFFFAOYSA-N
XLogP1.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 23361149
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 110399711
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110647716
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110648738
2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84639455
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
(1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102581566
N-cyclopropyl-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509703

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 67800169) is 2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1cc2c(cc1OC)C(NC(=O)CCl)C(O)CC2.
What is the InChIKey of 2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is NYMUWKPJGVOQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-19-11-5-8-3-4-10(17)14(16-13(18)7-15)9(8)6-12(11)20-2/h5-6,10,14,17H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 299.75 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 67800169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).