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

C18H12Cl2N2O3 — CID 151400320

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H12Cl2N2O3/c1-2-16(23)21-11-4-6-15-12(8-11)17(24)18(25)22(15)9-10-3-5-13(19)14(20)7-10/h2-8H,1,9H2,(H,21,23)
InChIKeyOWIPEIFHTCVFFY-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.85
Rot. Bonds4

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

N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide (PubChem CID 151400320) has the molecular formula C18H12Cl2N2O3 and a molecular weight of 375.21 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide
PubChem CID151400320
Molecular FormulaC18H12Cl2N2O3
Molecular Weight375.21 g/mol
Exact Mass374.02
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H12Cl2N2O3/c1-2-16(23)21-11-4-6-15-12(8-11)17(24)18(25)22(15)9-10-3-5-13(19)14(20)7-10/h2-8H,1,9H2,(H,21,23)
InChIKeyOWIPEIFHTCVFFY-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
CID 1901244
1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-indole-2,3-dione
CID 2247580
4-chloro-N-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzamide
CID 7384443
5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione
CID 2930041
1-benzyl-5-chloro-2,3-dihydro-1H-indole-2,3-dione
CID 3704739
1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-1H-indole-2,3-dione
CID 23363843
5-Chloro-1-(3-phenylprop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione
CID 28492659
2-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]acetamide
CID 149941375
N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide
CID 150433084
N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]cyclopropanecarboxamide
CID 151437949
N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide
CID 151615815

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide (CID 151400320) is N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide?
The InChIKey is OWIPEIFHTCVFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3/c1-2-16(23)21-11-4-6-15-12(8-11)17(24)18(25)22(15)9-10-3-5-13(19)14(20)7-10/h2-8H,1,9H2,(H,21,23).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide?
N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enamide has a molecular weight of 375.21 g/mol, XLogP of 3.85, 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]prop-2-enamide is sourced from PubChem (CID 151400320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).