N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C20H20ClN3O3 — CID 78778183

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20ClN3O3/c1-23(2)17-10-9-13(21)12-16(17)22-18(25)8-5-11-24-19(26)14-6-3-4-7-15(14)20(24)27/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,22,25)
InChIKeySVJOLNOJLLPCDO-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.42
Rot. Bonds6

About N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 78778183) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID78778183
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20ClN3O3/c1-23(2)17-10-9-13(21)12-16(17)22-18(25)8-5-11-24-19(26)14-6-3-4-7-15(14)20(24)27/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,22,25)
InChIKeySVJOLNOJLLPCDO-UHFFFAOYSA-N
XLogP3.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide
CID 55677974
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide
CID 55811982
7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
CID 119858077
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363349
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
N-(4-chloro-2-methylphenyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 7914697
N-[5-chloro-2-(dimethylamino)phenyl]-3-indol-1-ylpropanamide
CID 56532124
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 78778183) is N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is CN(C)c1ccc(Cl)cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is SVJOLNOJLLPCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-23(2)17-10-9-13(21)12-16(17)22-18(25)8-5-11-24-19(26)14-6-3-4-7-15(14)20(24)27/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,22,25).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 385.85 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 78778183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).