N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide

C10H11IN2O2 — CID 130166251

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
SMILESC[C@H](NC(=O)c1cccc(I)c1)C(N)=O
InChIInChI=1S/C10H11IN2O2/c1-6(9(12)14)13-10(15)7-3-2-4-8(11)5-7/h2-6H,1H3,(H2,12,14)(H,13,15)/t6-/m0/s1
InChIKeyHCNUVRGSJJLJEM-LURJTMIESA-N
MW318.11 g/mol
LogP0.89
Rot. Bonds3

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide (PubChem CID 130166251) has the molecular formula C10H11IN2O2 and a molecular weight of 318.11 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
PubChem CID130166251
Molecular FormulaC10H11IN2O2
Molecular Weight318.11 g/mol
Exact Mass317.99
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
SMILESC[C@H](NC(=O)c1cccc(I)c1)C(N)=O
InChIInChI=1S/C10H11IN2O2/c1-6(9(12)14)13-10(15)7-3-2-4-8(11)5-7/h2-6H,1H3,(H2,12,14)(H,13,15)/t6-/m0/s1
InChIKeyHCNUVRGSJJLJEM-LURJTMIESA-N
XLogP0.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 50.89
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

3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315731
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-hydroxybenzamide
CID 171390389
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]benzoic acid
CID 43545835
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
CID 54938221
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
N-but-3-yn-2-yl-3-iodobenzamide
CID 114389760
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
(2S)-2-[(3-iodobenzoyl)amino]-3-methylbutanoic acid
CID 28831811

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide (CID 130166251) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide is C[C@H](NC(=O)c1cccc(I)c1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide?
The InChIKey is HCNUVRGSJJLJEM-LURJTMIESA-N. The full InChI is InChI=1S/C10H11IN2O2/c1-6(9(12)14)13-10(15)7-3-2-4-8(11)5-7/h2-6H,1H3,(H2,12,14)(H,13,15)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide has a molecular weight of 318.11 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide is sourced from PubChem (CID 130166251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).