2-amino-N-(4-fluoro-2-iodophenyl)pentanamide

C11H14FIN2O — CID 79766616

IUPAC2-amino-N-(4-fluoro-2-iodophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C11H14FIN2O/c1-2-3-9(14)11(16)15-10-5-4-7(12)6-8(10)13/h4-6,9H,2-3,14H2,1H3,(H,15,16)
InChIKeyBJXNUINQJBSKRQ-UHFFFAOYSA-N
MW336.15 g/mol
LogP2.50
Rot. Bonds4

About 2-amino-N-(4-fluoro-2-iodophenyl)pentanamide

2-amino-N-(4-fluoro-2-iodophenyl)pentanamide (PubChem CID 79766616) has the molecular formula C11H14FIN2O and a molecular weight of 336.15 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-2-iodophenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-2-iodophenyl)pentanamide
PubChem CID79766616
Molecular FormulaC11H14FIN2O
Molecular Weight336.15 g/mol
Exact Mass336.01
IUPAC Name2-amino-N-(4-fluoro-2-iodophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C11H14FIN2O/c1-2-3-9(14)11(16)15-10-5-4-7(12)6-8(10)13/h4-6,9H,2-3,14H2,1H3,(H,15,16)
InChIKeyBJXNUINQJBSKRQ-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 52.50
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

2-amino-N-(4-fluoro-2-iodophenyl)butanediamide
CID 79766618
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
CID 119286704
2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
CID 54928581
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
2-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]pentanamide;hydrochloride
CID 119330052
(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide
CID 94872912
2-amino-N-(4-fluoro-2-iodophenyl)-2-(4-methylphenyl)acetamide
CID 106312524
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
2-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide
CID 119304879

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-2-iodophenyl)pentanamide?
The IUPAC name of 2-amino-N-(4-fluoro-2-iodophenyl)pentanamide (CID 79766616) is 2-amino-N-(4-fluoro-2-iodophenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-2-iodophenyl)pentanamide?
The canonical SMILES for 2-amino-N-(4-fluoro-2-iodophenyl)pentanamide is CCCC(N)C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 2-amino-N-(4-fluoro-2-iodophenyl)pentanamide?
The InChIKey is BJXNUINQJBSKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FIN2O/c1-2-3-9(14)11(16)15-10-5-4-7(12)6-8(10)13/h4-6,9H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(4-fluoro-2-iodophenyl)pentanamide?
2-amino-N-(4-fluoro-2-iodophenyl)pentanamide has a molecular weight of 336.15 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluoro-2-iodophenyl)pentanamide is sourced from PubChem (CID 79766616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).