2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C13H16ClNO2 — CID 100968562

IUPAC2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1ccc2c(c1)CC(NC(=O)CCl)CC2
InChIInChI=1S/C13H16ClNO2/c1-17-12-5-3-9-2-4-11(6-10(9)7-12)15-13(16)8-14/h3,5,7,11H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyWVZGYMLKGBEXPD-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.91
Rot. Bonds3

About 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 100968562) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID100968562
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1ccc2c(c1)CC(NC(=O)CCl)CC2
InChIInChI=1S/C13H16ClNO2/c1-17-12-5-3-9-2-4-11(6-10(9)7-12)15-13(16)8-14/h3,5,7,11H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyWVZGYMLKGBEXPD-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 91075803
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
CID 115510410
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N-tert-butyl-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 115510654
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 122127288
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 13472347
7-methoxy-N-(2-methoxyethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82712669
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamothioylamino]ethyl benzoate
CID 86647746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 100968562) is 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is COc1ccc2c(c1)CC(NC(=O)CCl)CC2.
What is the InChIKey of 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is WVZGYMLKGBEXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-12-5-3-9-2-4-11(6-10(9)7-12)15-13(16)8-14/h3,5,7,11H,2,4,6,8H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 253.73 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 100968562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).