N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

C19H21ClN2O — CID 2548635

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-17-9-7-15(8-10-17)11-12-21-19(23)14-22-13-3-5-16-4-1-2-6-18(16)22/h1-2,4,6-10H,3,5,11-14H2,(H,21,23)
InChIKeyHRYZQNSLGHWWKM-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.45
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 2548635) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID2548635
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-17-9-7-15(8-10-17)11-12-21-19(23)14-22-13-3-5-16-4-1-2-6-18(16)22/h1-2,4,6-10H,3,5,11-14H2,(H,21,23)
InChIKeyHRYZQNSLGHWWKM-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 2548635) is N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is O=C(CN1CCCc2ccccc21)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is HRYZQNSLGHWWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-9-7-15(8-10-17)11-12-21-19(23)14-22-13-3-5-16-4-1-2-6-18(16)22/h1-2,4,6-10H,3,5,11-14H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 328.84 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 2548635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).