(2S)-2-amino-N-(2-iodophenyl)propanamide

C9H11IN2O — CID 28882935

IUPAC(2S)-2-amino-N-(2-iodophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccccc1I
InChIInChI=1S/C9H11IN2O/c1-6(11)9(13)12-8-5-3-2-4-7(8)10/h2-6H,11H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyJBYPBZBRPVIGSG-LURJTMIESA-N
MW290.10 g/mol
LogP1.58
Rot. Bonds2

About (2S)-2-amino-N-(2-iodophenyl)propanamide

(2S)-2-amino-N-(2-iodophenyl)propanamide (PubChem CID 28882935) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-iodophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-iodophenyl)propanamide
PubChem CID28882935
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name(2S)-2-amino-N-(2-iodophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccccc1I
InChIInChI=1S/C9H11IN2O/c1-6(11)9(13)12-8-5-3-2-4-7(8)10/h2-6H,11H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyJBYPBZBRPVIGSG-LURJTMIESA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.58
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

(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
CID 38886412
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
2-amino-N-(2-methylsulfonylphenyl)propanamide
CID 43424873
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide
CID 130498725
(2R)-N-(2-iodophenyl)-2-phenoxypropanamide
CID 1124071
3-amino-N-(2-iodophenyl)-2-methoxypropanamide
CID 106111227
(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307887

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-iodophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-iodophenyl)propanamide (CID 28882935) is (2S)-2-amino-N-(2-iodophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-iodophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-iodophenyl)propanamide is C[C@H](N)C(=O)Nc1ccccc1I.
What is the InChIKey of (2S)-2-amino-N-(2-iodophenyl)propanamide?
The InChIKey is JBYPBZBRPVIGSG-LURJTMIESA-N. The full InChI is InChI=1S/C9H11IN2O/c1-6(11)9(13)12-8-5-3-2-4-7(8)10/h2-6H,11H2,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-iodophenyl)propanamide?
(2S)-2-amino-N-(2-iodophenyl)propanamide has a molecular weight of 290.10 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-iodophenyl)propanamide is sourced from PubChem (CID 28882935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).