N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide

C18H15Cl2N3O2 — CID 9089700

IUPACN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O2/c1-11(13-7-6-12(19)8-15(13)20)22-18(25)10-23-16-5-3-2-4-14(16)17(24)9-21-23/h2-9,11H,10H2,1H3,(H,22,25)/t11-/m1/s1
InChIKeyUQTSPIRXSSGKFY-LLVKDONJSA-N
MW376.24 g/mol
LogP3.58
Rot. Bonds4

About N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 9089700) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID9089700
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O2/c1-11(13-7-6-12(19)8-15(13)20)22-18(25)10-23-16-5-3-2-4-14(16)17(24)9-21-23/h2-9,11H,10H2,1H3,(H,22,25)/t11-/m1/s1
InChIKeyUQTSPIRXSSGKFY-LLVKDONJSA-N
XLogP3.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 9093214
3-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2470397
N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254953
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175104
N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 78672212
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 86925735
N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 111480501
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24581360
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55758083
N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55414888

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 9089700) is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide is C[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is UQTSPIRXSSGKFY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-11(13-7-6-12(19)8-15(13)20)22-18(25)10-23-16-5-3-2-4-14(16)17(24)9-21-23/h2-9,11H,10H2,1H3,(H,22,25)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 376.24 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 9089700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).