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

C16H22ClNO2 — CID 91075803

IUPAC2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
SMILESCCCC(Cl)C(=O)NC1CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H22ClNO2/c1-3-4-15(17)16(19)18-13-7-5-11-6-8-14(20-2)10-12(11)9-13/h6,8,10,13,15H,3-5,7,9H2,1-2H3,(H,18,19)
InChIKeyXJXSEABZIMDZTR-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.08
Rot. Bonds5

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

2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide (PubChem CID 91075803) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide.

Molecular Properties

Compound Name2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
PubChem CID91075803
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
SMILESCCCC(Cl)C(=O)NC1CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H22ClNO2/c1-3-4-15(17)16(19)18-13-7-5-11-6-8-14(20-2)10-12(11)9-13/h6,8,10,13,15H,3-5,7,9H2,1-2H3,(H,18,19)
InChIKeyXJXSEABZIMDZTR-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.08
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)acetamide
CID 100968562
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 113325923
3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
CID 115510410
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-ethoxypropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115763357
(2R)-7-methoxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97108117
1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpentan-2-ol
CID 103845700
N-tert-butyl-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 115510654

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide?
The IUPAC name of 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide (CID 91075803) is 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide.
What is the SMILES notation for 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide?
The canonical SMILES for 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide is CCCC(Cl)C(=O)NC1CCc2ccc(OC)cc2C1.
What is the InChIKey of 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide?
The InChIKey is XJXSEABZIMDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-4-15(17)16(19)18-13-7-5-11-6-8-14(20-2)10-12(11)9-13/h6,8,10,13,15H,3-5,7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide?
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide has a molecular weight of 295.81 g/mol, XLogP of 3.08, 5 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)pentanamide is sourced from PubChem (CID 91075803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).