N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

C18H17ClN2O3 — CID 46253514

IUPACN-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(Cl)cc3)c2C1=O
InChIInChI=1S/C18H17ClN2O3/c1-24-10-9-21-11-12-3-2-4-15(16(12)18(21)23)17(22)20-14-7-5-13(19)6-8-14/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyDQHIBRUPCDSNMY-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.19
Rot. Bonds5

About N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 46253514) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID46253514
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(Cl)cc3)c2C1=O
InChIInChI=1S/C18H17ClN2O3/c1-24-10-9-21-11-12-3-2-4-15(16(12)18(21)23)17(22)20-14-7-5-13(19)6-8-14/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyDQHIBRUPCDSNMY-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 15991016
N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3238535
2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide
CID 3245754
2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3239814
N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 15999116
N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3242240
2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 5308909
2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46261885
ethyl (3R)-3-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]-3-(4-methylphenyl)propanoate
CID 92661379
2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46261895
N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46255708
N-(2,5-difluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
CID 46253865

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (CID 46253514) is N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3ccc(Cl)cc3)c2C1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is DQHIBRUPCDSNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-24-10-9-21-11-12-3-2-4-15(16(12)18(21)23)17(22)20-14-7-5-13(19)6-8-14/h2-8H,9-11H2,1H3,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 46253514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).