N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C18H19ClN2O2 — CID 4579221

IUPACN-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCc2ccccc2C1
InChIInChI=1S/C18H19ClN2O2/c1-23-17-7-6-15(19)10-16(17)20-18(22)12-21-9-8-13-4-2-3-5-14(13)11-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyUWKRXJHAQYMAQZ-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.35
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 4579221) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID4579221
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCc2ccccc2C1
InChIInChI=1S/C18H19ClN2O2/c1-23-17-7-6-15(19)10-16(17)20-18(22)12-21-9-8-13-4-2-3-5-14(13)11-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyUWKRXJHAQYMAQZ-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 4579221) is N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCc2ccccc2C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is UWKRXJHAQYMAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-23-17-7-6-15(19)10-16(17)20-18(22)12-21-9-8-13-4-2-3-5-14(13)11-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 4579221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).