1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide

C18H18BrN3O5 — CID 102344144

IUPAC1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(=O)C2(O)C(=O)NC(N)=O
InChIInChI=1S/C18H18BrN3O5/c1-17(2)7-11-13(12(23)8-17)18(27,14(24)21-16(20)26)15(25)22(11)10-5-3-4-9(19)6-10/h3-6,27H,7-8H2,1-2H3,(H3,20,21,24,26)
InChIKeyWFCAQWPDTKFGNR-UHFFFAOYSA-N
MW436.26 g/mol
LogP1.36
Rot. Bonds2

About 1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide

1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide (PubChem CID 102344144) has the molecular formula C18H18BrN3O5 and a molecular weight of 436.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide
PubChem CID102344144
Molecular FormulaC18H18BrN3O5
Molecular Weight436.26 g/mol
Exact Mass435.04
IUPAC Name1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(=O)C2(O)C(=O)NC(N)=O
InChIInChI=1S/C18H18BrN3O5/c1-17(2)7-11-13(12(23)8-17)18(27,14(24)21-16(20)26)15(25)22(11)10-5-3-4-9(19)6-10/h3-6,27H,7-8H2,1-2H3,(H3,20,21,24,26)
InChIKeyWFCAQWPDTKFGNR-UHFFFAOYSA-N
XLogP1.36
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide with MolForge

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Related Compounds

2-amino-1-(3-bromophenyl)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile
CID 23917025
2-amino-1-(3-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3268374
N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500693
2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385974
3-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
CID 5204175
(3E)-1-(3-bromophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-2-imino-7,7-dimethyl-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-5-one
CID 135598322
9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 134692320
N-[(3S)-1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide
CID 2032445
methyl (6R)-6-(3-bromophenyl)-9,9-dimethyl-4,7-dioxo-1,2,3,6,8,10-hexahydropyrazino[1,2-a]quinoline-5-carboxylate
CID 41281753
methyl 2'-amino-5-bromo-1'-(3-chloro-4-methylphenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23742831
9-(3-bromophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 1101266
6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium
CID 163614964

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide (CID 102344144) is 1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide is CC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(=O)C2(O)C(=O)NC(N)=O.
What is the InChIKey of 1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide?
The InChIKey is WFCAQWPDTKFGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O5/c1-17(2)7-11-13(12(23)8-17)18(27,14(24)21-16(20)26)15(25)22(11)10-5-3-4-9(19)6-10/h3-6,27H,7-8H2,1-2H3,(H3,20,21,24,26).
What are the key properties of 1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide?
1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide has a molecular weight of 436.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-carbamoyl-3-hydroxy-6,6-dimethyl-2,4-dioxo-5,7-dihydroindole-3-carboxamide is sourced from PubChem (CID 102344144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).