2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide

C17H13ClN2O — CID 8763151

IUPAC2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc2cnccc12
InChIInChI=1S/C17H13ClN2O/c18-14-6-4-12(5-7-14)10-17(21)20-16-3-1-2-13-11-19-9-8-15(13)16/h1-9,11H,10H2,(H,20,21)
InChIKeyUAZMHDVAAUFHKT-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.07
Rot. Bonds3

About 2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide

2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide (PubChem CID 8763151) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
PubChem CID8763151
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc2cnccc12
InChIInChI=1S/C17H13ClN2O/c18-14-6-4-12(5-7-14)10-17(21)20-16-3-1-2-13-11-19-9-8-15(13)16/h1-9,11H,10H2,(H,20,21)
InChIKeyUAZMHDVAAUFHKT-UHFFFAOYSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide
CID 29372808
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
aniline;N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 143944897
2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide
CID 156906657
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
1-[(3-chloro-4-fluorophenyl)methyl]-3-isoquinolin-5-ylurea
CID 11255965
2-(4-chlorophenyl)-N-[1-[[(cyanoamino)-(isoquinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide
CID 72773077
1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea
CID 10406200
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide (CID 8763151) is 2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc2cnccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide?
The InChIKey is UAZMHDVAAUFHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-14-6-4-12(5-7-14)10-17(21)20-16-3-1-2-13-11-19-9-8-15(13)16/h1-9,11H,10H2,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide?
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide has a molecular weight of 296.76 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide is sourced from PubChem (CID 8763151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).