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

C15H20ClNO4 — CID 23361149

IUPAC2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CCl)C(CO)CC2
InChIInChI=1S/C15H20ClNO4/c1-20-12-5-9-3-4-10(8-18)15(17-14(19)7-16)11(9)6-13(12)21-2/h5-6,10,15,18H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyTWJNWIVRSUWVSD-UHFFFAOYSA-N
MW313.78 g/mol
LogP1.65
Rot. Bonds5

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

2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 23361149) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID23361149
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CCl)C(CO)CC2
InChIInChI=1S/C15H20ClNO4/c1-20-12-5-9-3-4-10(8-18)15(17-14(19)7-16)11(9)6-13(12)21-2/h5-6,10,15,18H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyTWJNWIVRSUWVSD-UHFFFAOYSA-N
XLogP1.65
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 51.65
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-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 67800169
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110648738
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-(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-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 23361149) is 2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1cc2c(cc1OC)C(NC(=O)CCl)C(CO)CC2.
What is the InChIKey of 2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is TWJNWIVRSUWVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-20-12-5-9-3-4-10(8-18)15(17-14(19)7-16)11(9)6-13(12)21-2/h5-6,10,15,18H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 313.78 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 23361149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).