N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide

C18H15FIN3O2 — CID 174253642

IUPACN-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide
SMILESCCn1c(I)cc2cccc(C(=O)Nc3ccc(F)c(C(N)=O)c3)c21
InChIInChI=1S/C18H15FIN3O2/c1-2-23-15(20)8-10-4-3-5-12(16(10)23)18(25)22-11-6-7-14(19)13(9-11)17(21)24/h3-9H,2H2,1H3,(H2,21,24)(H,22,25)
InChIKeyZTTFHNMDUAEKSG-UHFFFAOYSA-N
MW451.24 g/mol
LogP3.76
Rot. Bonds4

About N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide

N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide (PubChem CID 174253642) has the molecular formula C18H15FIN3O2 and a molecular weight of 451.24 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide
PubChem CID174253642
Molecular FormulaC18H15FIN3O2
Molecular Weight451.24 g/mol
Exact Mass451.02
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide
SMILESCCn1c(I)cc2cccc(C(=O)Nc3ccc(F)c(C(N)=O)c3)c21
InChIInChI=1S/C18H15FIN3O2/c1-2-23-15(20)8-10-4-3-5-12(16(10)23)18(25)22-11-6-7-14(19)13(9-11)17(21)24/h3-9H,2H2,1H3,(H2,21,24)(H,22,25)
InChIKeyZTTFHNMDUAEKSG-UHFFFAOYSA-N
XLogP3.76
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.24
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide (CID 174253642) is N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide is CCn1c(I)cc2cccc(C(=O)Nc3ccc(F)c(C(N)=O)c3)c21.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide?
The InChIKey is ZTTFHNMDUAEKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN3O2/c1-2-23-15(20)8-10-4-3-5-12(16(10)23)18(25)22-11-6-7-14(19)13(9-11)17(21)24/h3-9H,2H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide has a molecular weight of 451.24 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide is sourced from PubChem (CID 174253642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).