N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide

C10H12FIN2O — CID 79766038

IUPACN-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C10H12FIN2O/c1-13-5-4-10(15)14-9-3-2-7(11)6-8(9)12/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeyIHRNOXGCVAUNHA-UHFFFAOYSA-N
MW322.12 g/mol
LogP1.98
Rot. Bonds4

About N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide

N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide (PubChem CID 79766038) has the molecular formula C10H12FIN2O and a molecular weight of 322.12 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide
PubChem CID79766038
Molecular FormulaC10H12FIN2O
Molecular Weight322.12 g/mol
Exact Mass322.00
IUPAC NameN-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C10H12FIN2O/c1-13-5-4-10(15)14-9-3-2-7(11)6-8(9)12/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeyIHRNOXGCVAUNHA-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 51.98
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

4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
CID 79766480
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
N-(4-fluoro-2-iodophenyl)-2-(4-methoxyphenyl)acetamide
CID 79767117
4-[(4-fluoro-2-iodophenyl)carbamoylamino]butanoic acid
CID 79766348
N-(4-fluoro-2-iodophenyl)-2-(2-methoxyethoxy)acetamide
CID 103737178
N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
CID 79767023
2-(4-bromophenyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79765971
N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79766531
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
4-[(4-fluoro-2-iodophenyl)carbamoylamino]-2-methylbutanoic acid
CID 80541055
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide (CID 79766038) is N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide is CNCCC(=O)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide?
The InChIKey is IHRNOXGCVAUNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FIN2O/c1-13-5-4-10(15)14-9-3-2-7(11)6-8(9)12/h2-3,6,13H,4-5H2,1H3,(H,14,15).
What are the key properties of N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide?
N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide has a molecular weight of 322.12 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide is sourced from PubChem (CID 79766038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).