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

C19H14Cl2N2O3 — CID 151437949

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide
SMILESO=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(NC(=O)C3CC3)cc21
InChIInChI=1S/C19H14Cl2N2O3/c20-14-5-1-10(7-15(14)21)9-23-16-6-4-12(22-18(25)11-2-3-11)8-13(16)17(24)19(23)26/h1,4-8,11H,2-3,9H2,(H,22,25)
InChIKeyPDXHJPPVTUEBIN-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.07
Rot. Bonds4

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

N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide (PubChem CID 151437949) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide
PubChem CID151437949
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide
SMILESO=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(NC(=O)C3CC3)cc21
InChIInChI=1S/C19H14Cl2N2O3/c20-14-5-1-10(7-15(14)21)9-23-16-6-4-12(22-18(25)11-2-3-11)8-13(16)17(24)19(23)26/h1,4-8,11H,2-3,9H2,(H,22,25)
InChIKeyPDXHJPPVTUEBIN-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide (CID 151437949) is N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide is O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(NC(=O)C3CC3)cc21.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide?
The InChIKey is PDXHJPPVTUEBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c20-14-5-1-10(7-15(14)21)9-23-16-6-4-12(22-18(25)11-2-3-11)8-13(16)17(24)19(23)26/h1,4-8,11H,2-3,9H2,(H,22,25).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide?
N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide has a molecular weight of 389.24 g/mol, XLogP of 4.07, 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]cyclopropanecarboxamide is sourced from PubChem (CID 151437949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).