2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide

C19H16Cl2N2O2 — CID 51229591

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-12(24)23-10-9-13-5-2-3-6-14(13)17(23)11-18(25)22-16-8-4-7-15(20)19(16)21/h2-10,17H,11H2,1H3,(H,22,25)
InChIKeyRRRPDNPHSYXUHA-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.90
Rot. Bonds3

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide (PubChem CID 51229591) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide
PubChem CID51229591
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-12(24)23-10-9-13-5-2-3-6-14(13)17(23)11-18(25)22-16-8-4-7-15(20)19(16)21/h2-10,17H,11H2,1H3,(H,22,25)
InChIKeyRRRPDNPHSYXUHA-UHFFFAOYSA-N
XLogP4.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1H-indazol-7-yl)acetamide
CID 34202769
2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-benzylbenzamide
CID 43052968
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 34575285
4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
CID 26009427
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]acetamide
CID 51936199
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-methylbenzamide
CID 17478920
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide
CID 9086679
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370303
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide
CID 51317725
2-[3-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]pyrazol-1-yl]acetic acid
CID 125153462

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide (CID 51229591) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide is CC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is RRRPDNPHSYXUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-12(24)23-10-9-13-5-2-3-6-14(13)17(23)11-18(25)22-16-8-4-7-15(20)19(16)21/h2-10,17H,11H2,1H3,(H,22,25).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 375.26 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 51229591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).