N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide

C17H14Cl2N2O2 — CID 25029942

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide
SMILESCN1C(=O)c2ccccc2C1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-21-15(12-4-2-3-5-13(12)17(21)23)16(22)20-9-10-6-7-11(18)8-14(10)19/h2-8,15H,9H2,1H3,(H,20,22)
InChIKeyMSKKIEWTMHJXEM-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.44
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 25029942) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide
PubChem CID25029942
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide
SMILESCN1C(=O)c2ccccc2C1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-21-15(12-4-2-3-5-13(12)17(21)23)16(22)20-9-10-6-7-11(18)8-14(10)19/h2-8,15H,9H2,1H3,(H,20,22)
InChIKeyMSKKIEWTMHJXEM-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Eragidomide
CID 118647211
(2r)-2-Amino-3-(2,4-Dichlorophenyl)-1-(1,3-Dihydro-2h-Isoindol-2-Yl)propan-1-One
CID 53357987
Gsk1370319A
CID 67461788
1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide
CID 165416302
N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3990198
2-isopropyl-3-oxo-N-(2-phenylethyl)isoindoline-1-carboxamide
CID 4116921
(S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11336016
(+/-)-7-chloro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11737032
(R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11737939
2-[(4-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 16215107
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 24758172
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 24759191

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide (CID 25029942) is N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide is CN1C(=O)c2ccccc2C1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is MSKKIEWTMHJXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-21-15(12-4-2-3-5-13(12)17(21)23)16(22)20-9-10-6-7-11(18)8-14(10)19/h2-8,15H,9H2,1H3,(H,20,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 349.22 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 25029942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).