2-amino-N-[(2-iodophenyl)methyl]propanamide

C10H13IN2O — CID 77144463

IUPAC2-amino-N-[(2-iodophenyl)methyl]propanamide
SMILESCC(N)C(=O)NCc1ccccc1I
InChIInChI=1S/C10H13IN2O/c1-7(12)10(14)13-6-8-4-2-3-5-9(8)11/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyOABGYUMBLNJSQX-UHFFFAOYSA-N
MW304.13 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-N-[(2-iodophenyl)methyl]propanamide

2-amino-N-[(2-iodophenyl)methyl]propanamide (PubChem CID 77144463) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-amino-N-[(2-iodophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(2-iodophenyl)methyl]propanamide
PubChem CID77144463
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name2-amino-N-[(2-iodophenyl)methyl]propanamide
SMILESCC(N)C(=O)NCc1ccccc1I
InChIInChI=1S/C10H13IN2O/c1-7(12)10(14)13-6-8-4-2-3-5-9(8)11/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyOABGYUMBLNJSQX-UHFFFAOYSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 51.25
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-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
CID 78979257
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid
CID 120526942
2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115152411
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-iodophenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(2-iodophenyl)methyl]propanamide (CID 77144463) is 2-amino-N-[(2-iodophenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(2-iodophenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(2-iodophenyl)methyl]propanamide is CC(N)C(=O)NCc1ccccc1I.
What is the InChIKey of 2-amino-N-[(2-iodophenyl)methyl]propanamide?
The InChIKey is OABGYUMBLNJSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c1-7(12)10(14)13-6-8-4-2-3-5-9(8)11/h2-5,7H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-[(2-iodophenyl)methyl]propanamide?
2-amino-N-[(2-iodophenyl)methyl]propanamide has a molecular weight of 304.13 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-iodophenyl)methyl]propanamide is sourced from PubChem (CID 77144463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).