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

C22H12Cl4N2O3 — CID 150679382

IUPAC2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H12Cl4N2O3/c23-12-2-4-14(17(25)8-12)21(30)27-13-3-6-19-15(9-13)20(29)22(31)28(19)10-11-1-5-16(24)18(26)7-11/h1-9H,10H2,(H,27,30)
InChIKeyJHNYTNDCXGIHKW-UHFFFAOYSA-N
MW494.16 g/mol
LogP6.28
Rot. Bonds4

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

2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide (PubChem CID 150679382) has the molecular formula C22H12Cl4N2O3 and a molecular weight of 494.16 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide
PubChem CID150679382
Molecular FormulaC22H12Cl4N2O3
Molecular Weight494.16 g/mol
Exact Mass491.96
IUPAC Name2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H12Cl4N2O3/c23-12-2-4-14(17(25)8-12)21(30)27-13-3-6-19-15(9-13)20(29)22(31)28(19)10-11-1-5-16(24)18(26)7-11/h1-9H,10H2,(H,27,30)
InChIKeyJHNYTNDCXGIHKW-UHFFFAOYSA-N
XLogP6.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.16
LogP ≤ 56.28
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

N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide
CID 151400320
N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide
CID 151435673
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
[[1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,4-dichlorobenzoate
CID 2766661
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]benzamide
CID 1348326
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione
CID 107882127
3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325353
5-chloro-1-[(4-propoxyphenyl)methyl]indole-2,3-dione
CID 9191121
2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 23098450
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91676429

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide (CID 150679382) is 2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide is O=C(Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide?
The InChIKey is JHNYTNDCXGIHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl4N2O3/c23-12-2-4-14(17(25)8-12)21(30)27-13-3-6-19-15(9-13)20(29)22(31)28(19)10-11-1-5-16(24)18(26)7-11/h1-9H,10H2,(H,27,30).
What are the key properties of 2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide?
2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide has a molecular weight of 494.16 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide is sourced from PubChem (CID 150679382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).