2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide

C24H19ClN2O2 — CID 7287962

IUPAC2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc(-c2ccccc2)c2ccncc12
InChIInChI=1S/C24H19ClN2O2/c25-19-7-9-20(10-8-19)29-16-24(28)27-14-18-6-11-21(17-4-2-1-3-5-17)22-12-13-26-15-23(18)22/h1-13,15H,14,16H2,(H,27,28)
InChIKeyQAWZMPBZKZFSHR-UHFFFAOYSA-N
MW402.88 g/mol
LogP5.25
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide

2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide (PubChem CID 7287962) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
PubChem CID7287962
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc(-c2ccccc2)c2ccncc12
InChIInChI=1S/C24H19ClN2O2/c25-19-7-9-20(10-8-19)29-16-24(28)27-14-18-6-11-21(17-4-2-1-3-5-17)22-12-13-26-15-23(18)22/h1-13,15H,14,16H2,(H,27,28)
InChIKeyQAWZMPBZKZFSHR-UHFFFAOYSA-N
XLogP5.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7327457
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115598858
2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide
CID 139559406
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
1-benzyl-3-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]urea
CID 7362545
2-(4-chlorophenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546287
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
N-[(4-chlorophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238051
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
CID 110645117
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311483
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 79530146
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide (CID 7287962) is 2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2ccccc2)c2ccncc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide?
The InChIKey is QAWZMPBZKZFSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c25-19-7-9-20(10-8-19)29-16-24(28)27-14-18-6-11-21(17-4-2-1-3-5-17)22-12-13-26-15-23(18)22/h1-13,15H,14,16H2,(H,27,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide has a molecular weight of 402.88 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide is sourced from PubChem (CID 7287962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).