N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C19H21IN2O2 — CID 43020407

IUPACN-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1I
InChIInChI=1S/C19H21IN2O2/c1-10-5-6-12(7-13(10)20)21-18(24)17-11(2)16-14(22-17)8-19(3,4)9-15(16)23/h5-7,22H,8-9H2,1-4H3,(H,21,24)
InChIKeyFRFSOOOKMZRHSM-UHFFFAOYSA-N
MW436.29 g/mol
LogP4.64
Rot. Bonds2

About N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 43020407) has the molecular formula C19H21IN2O2 and a molecular weight of 436.29 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID43020407
Molecular FormulaC19H21IN2O2
Molecular Weight436.29 g/mol
Exact Mass436.06
IUPAC NameN-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1I
InChIInChI=1S/C19H21IN2O2/c1-10-5-6-12(7-13(10)20)21-18(24)17-11(2)16-14(22-17)8-19(3,4)9-15(16)23/h5-7,22H,8-9H2,1-4H3,(H,21,24)
InChIKeyFRFSOOOKMZRHSM-UHFFFAOYSA-N
XLogP4.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 43018595
N-(1,3-benzodioxol-5-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 36676045
N-(5-tert-butyl-2-hydroxyphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 24540370
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 24564242
3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170260610
3,6,6-trimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 128938807
3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide
CID 24678094
3,5-dichloro-N-(3-iodo-4-methylphenyl)benzamide
CID 7925565
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
CID 2517706
N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 43018488
3,6,6-trimethyl-4-oxo-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-5,7-dihydro-1H-indole-2-carboxamide
CID 31116655
3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 24617769

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 43020407) is N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is Cc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is FRFSOOOKMZRHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O2/c1-10-5-6-12(7-13(10)20)21-18(24)17-11(2)16-14(22-17)8-19(3,4)9-15(16)23/h5-7,22H,8-9H2,1-4H3,(H,21,24).
What are the key properties of N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 436.29 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 43020407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).