N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide

C11H15IN2O — CID 120505769

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide
SMILESC[C@@H](CN)NC(=O)Cc1cccc(I)c1
InChIInChI=1S/C11H15IN2O/c1-8(7-13)14-11(15)6-9-3-2-4-10(12)5-9/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyARYDITUYIUBUMD-QMMMGPOBSA-N
MW318.16 g/mol
LogP1.30
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide

N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide (PubChem CID 120505769) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide
PubChem CID120505769
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide
SMILESC[C@@H](CN)NC(=O)Cc1cccc(I)c1
InChIInChI=1S/C11H15IN2O/c1-8(7-13)14-11(15)6-9-3-2-4-10(12)5-9/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyARYDITUYIUBUMD-QMMMGPOBSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.30
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

N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
2-(3-iodophenyl)-N-methylacetamide
CID 130614224
2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide
CID 120830379
N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride
CID 120652816
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65192905

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide (CID 120505769) is N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide is C[C@@H](CN)NC(=O)Cc1cccc(I)c1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide?
The InChIKey is ARYDITUYIUBUMD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-8(7-13)14-11(15)6-9-3-2-4-10(12)5-9/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide?
N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide has a molecular weight of 318.16 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide is sourced from PubChem (CID 120505769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).