N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide

C20H23FIN3O5 — CID 25124822

IUPACN-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide
SMILESCn1c(Nc2ccc(I)cc2F)c(C(=O)NOC[C@H](O)CCO)c2c1C(=O)CCC2
InChIInChI=1S/C20H23FIN3O5/c1-25-18-13(3-2-4-16(18)28)17(20(29)24-30-10-12(27)7-8-26)19(25)23-15-6-5-11(22)9-14(15)21/h5-6,9,12,23,26-27H,2-4,7-8,10H2,1H3,(H,24,29)/t12-/m1/s1
InChIKeyHNNRRNZAJVOXQZ-GFCCVEGCSA-N
MW531.32 g/mol
LogP2.44
Rot. Bonds8

About N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide

N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide (PubChem CID 25124822) has the molecular formula C20H23FIN3O5 and a molecular weight of 531.32 g/mol. Its IUPAC name is N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide
PubChem CID25124822
Molecular FormulaC20H23FIN3O5
Molecular Weight531.32 g/mol
Exact Mass531.07
IUPAC NameN-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide
SMILESCn1c(Nc2ccc(I)cc2F)c(C(=O)NOC[C@H](O)CCO)c2c1C(=O)CCC2
InChIInChI=1S/C20H23FIN3O5/c1-25-18-13(3-2-4-16(18)28)17(20(29)24-30-10-12(27)7-8-26)19(25)23-15-6-5-11(22)9-14(15)21/h5-6,9,12,23,26-27H,2-4,7-8,10H2,1H3,(H,24,29)/t12-/m1/s1
InChIKeyHNNRRNZAJVOXQZ-GFCCVEGCSA-N
XLogP2.44
TPSA112.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.32
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-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-[(2S)-2,3-dihydroxypropoxy]-2-(4-ethynyl-2-fluoroanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide
CID 25125166
2-(4-ethynyl-2-fluoroanilino)-N-(2-hydroxyethoxy)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide
CID 25124156
5-acetyl-N-(2,3-dihydroxypropoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74403119
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 144761820
N-[(3S)-3,4-dihydroxybutoxy]-4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 25108961
5-acetyl-N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74402613
N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 159116067
N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane
CID 158459865
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide
CID 86671098
6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 86712551
6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide
CID 59424202

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide?
The IUPAC name of N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide (CID 25124822) is N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide?
The canonical SMILES for N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide is Cn1c(Nc2ccc(I)cc2F)c(C(=O)NOC[C@H](O)CCO)c2c1C(=O)CCC2.
What is the InChIKey of N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide?
The InChIKey is HNNRRNZAJVOXQZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H23FIN3O5/c1-25-18-13(3-2-4-16(18)28)17(20(29)24-30-10-12(27)7-8-26)19(25)23-15-6-5-11(22)9-14(15)21/h5-6,9,12,23,26-27H,2-4,7-8,10H2,1H3,(H,24,29)/t12-/m1/s1.
What are the key properties of N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide?
N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide has a molecular weight of 531.32 g/mol, XLogP of 2.44, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide is sourced from PubChem (CID 25124822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).