3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide

C15H14FIN2O — CID 79766780

IUPAC3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc(F)cc1I)c1ccccc1
InChIInChI=1S/C15H14FIN2O/c16-11-6-7-14(13(17)8-11)19-15(20)12(9-18)10-4-2-1-3-5-10/h1-8,12H,9,18H2,(H,19,20)
InChIKeyHBSBLLFUIGCDEU-UHFFFAOYSA-N
MW384.19 g/mol
LogP3.11
Rot. Bonds4

About 3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide

3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide (PubChem CID 79766780) has the molecular formula C15H14FIN2O and a molecular weight of 384.19 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide
PubChem CID79766780
Molecular FormulaC15H14FIN2O
Molecular Weight384.19 g/mol
Exact Mass384.01
IUPAC Name3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc(F)cc1I)c1ccccc1
InChIInChI=1S/C15H14FIN2O/c16-11-6-7-14(13(17)8-11)19-15(20)12(9-18)10-4-2-1-3-5-10/h1-8,12H,9,18H2,(H,19,20)
InChIKeyHBSBLLFUIGCDEU-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(4-fluoro-2-iodoanilino)-2-phenylpropanoate
CID 79759348
3-amino-N-(2-ethylphenyl)-2-phenylpropanamide
CID 62878156
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide
CID 107574522
2-amino-N-(4-fluoro-2-iodophenyl)butanediamide
CID 79766618
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216
2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide
CID 79766785
2-amino-N-(4-fluoro-2-iodophenyl)pentanamide
CID 79766616
3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide
CID 62877990
2-amino-N-(4-fluoro-2-iodophenyl)-2-(4-methylphenyl)acetamide
CID 106312524
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
3-amino-N-(4-aminothiophen-3-yl)-2-phenylpropanamide
CID 174481948
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide (CID 79766780) is 3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide is NCC(C(=O)Nc1ccc(F)cc1I)c1ccccc1.
What is the InChIKey of 3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide?
The InChIKey is HBSBLLFUIGCDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FIN2O/c16-11-6-7-14(13(17)8-11)19-15(20)12(9-18)10-4-2-1-3-5-10/h1-8,12H,9,18H2,(H,19,20).
What are the key properties of 3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide?
3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide has a molecular weight of 384.19 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide is sourced from PubChem (CID 79766780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).