N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide

C23H16Cl2N2O3 — CID 151435673

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C23H16Cl2N2O3/c1-13-3-2-4-15(9-13)22(29)26-16-6-8-20-17(11-16)21(28)23(30)27(20)12-14-5-7-18(24)19(25)10-14/h2-11H,12H2,1H3,(H,26,29)
InChIKeyPDLCXNGPNAAUBX-UHFFFAOYSA-N
MW439.30 g/mol
LogP5.28
Rot. Bonds4

About N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide

N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide (PubChem CID 151435673) has the molecular formula C23H16Cl2N2O3 and a molecular weight of 439.30 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide
PubChem CID151435673
Molecular FormulaC23H16Cl2N2O3
Molecular Weight439.30 g/mol
Exact Mass438.05
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C23H16Cl2N2O3/c1-13-3-2-4-15(9-13)22(29)26-16-6-8-20-17(11-16)21(28)23(30)27(20)12-14-5-7-18(24)19(25)10-14/h2-11H,12H2,1H3,(H,26,29)
InChIKeyPDLCXNGPNAAUBX-UHFFFAOYSA-N
XLogP5.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide
CID 150679382
N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide
CID 151400320
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
N-[3-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-methylbenzamide
CID 46070096
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzamide
CID 16926919
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762
1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea
CID 4205800
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide (CID 151435673) is N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide?
The InChIKey is PDLCXNGPNAAUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O3/c1-13-3-2-4-15(9-13)22(29)26-16-6-8-20-17(11-16)21(28)23(30)27(20)12-14-5-7-18(24)19(25)10-14/h2-11H,12H2,1H3,(H,26,29).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide?
N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide has a molecular weight of 439.30 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide is sourced from PubChem (CID 151435673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).