N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide

C13H11FINOS — CID 78949059

IUPACN-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(I)c1)c1cccc(F)c1
InChIInChI=1S/C13H11FINOS/c1-8(9-3-2-4-11(14)5-9)16-13(17)10-6-12(15)18-7-10/h2-8H,1H3,(H,16,17)
InChIKeyIDASPAIYDBCXIK-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.98
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide

N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide (PubChem CID 78949059) has the molecular formula C13H11FINOS and a molecular weight of 375.21 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
PubChem CID78949059
Molecular FormulaC13H11FINOS
Molecular Weight375.21 g/mol
Exact Mass374.96
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(I)c1)c1cccc(F)c1
InChIInChI=1S/C13H11FINOS/c1-8(9-3-2-4-11(14)5-9)16-13(17)10-6-12(15)18-7-10/h2-8H,1H3,(H,16,17)
InChIKeyIDASPAIYDBCXIK-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78948691
N-[1-(3-fluorophenyl)ethyl]-4-iodobenzamide
CID 47098593
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672
5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
CID 78949901
N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
CID 107025556
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81364892
4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56809827

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide (CID 78949059) is N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide is CC(NC(=O)c1csc(I)c1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide?
The InChIKey is IDASPAIYDBCXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FINOS/c1-8(9-3-2-4-11(14)5-9)16-13(17)10-6-12(15)18-7-10/h2-8H,1H3,(H,16,17).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide?
N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide has a molecular weight of 375.21 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78949059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).