N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide

C14H15FIN3O — CID 171132579

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide
SMILESCC(C(=O)NCCc1ccccc1F)n1cc(I)cn1
InChIInChI=1S/C14H15FIN3O/c1-10(19-9-12(16)8-18-19)14(20)17-7-6-11-4-2-3-5-13(11)15/h2-5,8-10H,6-7H2,1H3,(H,17,20)
InChIKeyCMGBBIGTAAESTG-UHFFFAOYSA-N
MW387.20 g/mol
LogP2.55
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide

N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide (PubChem CID 171132579) has the molecular formula C14H15FIN3O and a molecular weight of 387.20 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide
PubChem CID171132579
Molecular FormulaC14H15FIN3O
Molecular Weight387.20 g/mol
Exact Mass387.02
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide
SMILESCC(C(=O)NCCc1ccccc1F)n1cc(I)cn1
InChIInChI=1S/C14H15FIN3O/c1-10(19-9-12(16)8-18-19)14(20)17-7-6-11-4-2-3-5-13(11)15/h2-5,8-10H,6-7H2,1H3,(H,17,20)
InChIKeyCMGBBIGTAAESTG-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxamide
CID 47047413
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 43445345
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
CID 62827671
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid
CID 155928476
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide (CID 171132579) is N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide is CC(C(=O)NCCc1ccccc1F)n1cc(I)cn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide?
The InChIKey is CMGBBIGTAAESTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FIN3O/c1-10(19-9-12(16)8-18-19)14(20)17-7-6-11-4-2-3-5-13(11)15/h2-5,8-10H,6-7H2,1H3,(H,17,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide?
N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide has a molecular weight of 387.20 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide is sourced from PubChem (CID 171132579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).