2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide

C18H19ClN2O2 — CID 119547250

IUPAC2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C18H19ClN2O2/c1-12(23-16-6-2-5-14(19)11-16)18(22)21-15-7-8-17-13(10-15)4-3-9-20-17/h2,5-8,10-12,20H,3-4,9H2,1H3,(H,21,22)
InChIKeyDBCNXZIIBOJBTL-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.10
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide

2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide (PubChem CID 119547250) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
PubChem CID119547250
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C18H19ClN2O2/c1-12(23-16-6-2-5-14(19)11-16)18(22)21-15-7-8-17-13(10-15)4-3-9-20-17/h2,5-8,10-12,20H,3-4,9H2,1H3,(H,21,22)
InChIKeyDBCNXZIIBOJBTL-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
N-(2,3-dihydro-1H-indol-5-yl)-2-methoxypropanamide
CID 115736922
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
(2R)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647263
(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647264
2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide
CID 9497360

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide (CID 119547250) is 2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)CCCN2.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide?
The InChIKey is DBCNXZIIBOJBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(23-16-6-2-5-14(19)11-16)18(22)21-15-7-8-17-13(10-15)4-3-9-20-17/h2,5-8,10-12,20H,3-4,9H2,1H3,(H,21,22).
What are the key properties of 2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide?
2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide has a molecular weight of 330.82 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide is sourced from PubChem (CID 119547250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).