(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide

C9H10FIN2O — CID 130498725

IUPAC(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(F)c1I
InChIInChI=1S/C9H10FIN2O/c1-5(12)9(14)13-7-4-2-3-6(10)8(7)11/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyDPGIAYYVMRXAJQ-YFKPBYRVSA-N
MW308.09 g/mol
LogP1.72
Rot. Bonds2

About (2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide

(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide (PubChem CID 130498725) has the molecular formula C9H10FIN2O and a molecular weight of 308.09 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide
PubChem CID130498725
Molecular FormulaC9H10FIN2O
Molecular Weight308.09 g/mol
Exact Mass307.98
IUPAC Name(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(F)c1I
InChIInChI=1S/C9H10FIN2O/c1-5(12)9(14)13-7-4-2-3-6(10)8(7)11/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyDPGIAYYVMRXAJQ-YFKPBYRVSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 51.72
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-(2-fluorophenyl)propanamide
CID 24707617
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
2-(2-aminopropanoylamino)-6-fluorobenzoic acid
CID 61156859
1-(3-fluoro-2-iodophenyl)-3-methylurea
CID 130164598
2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide
CID 114259736
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride
CID 119280847
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide (CID 130498725) is (2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide is C[C@H](N)C(=O)Nc1cccc(F)c1I.
What is the InChIKey of (2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide?
The InChIKey is DPGIAYYVMRXAJQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10FIN2O/c1-5(12)9(14)13-7-4-2-3-6(10)8(7)11/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide?
(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide has a molecular weight of 308.09 g/mol, XLogP of 1.72, 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-(3-fluoro-2-iodophenyl)propanamide is sourced from PubChem (CID 130498725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).