(2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide

C10H11ClINO — CID 143607004

IUPAC(2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide
SMILESCN[C@H](Cc1ccc(Cl)cc1)C(=O)I
InChIInChI=1S/C10H11ClINO/c1-13-9(10(12)14)6-7-2-4-8(11)5-3-7/h2-5,9,13H,6H2,1H3/t9-/m1/s1
InChIKeyWFHUTBZUYJCGGE-SECBINFHSA-N
MW323.56 g/mol
LogP2.43
Rot. Bonds4

About (2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide

(2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide (PubChem CID 143607004) has the molecular formula C10H11ClINO and a molecular weight of 323.56 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide
PubChem CID143607004
Molecular FormulaC10H11ClINO
Molecular Weight323.56 g/mol
Exact Mass322.96
IUPAC Name(2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide
SMILESCN[C@H](Cc1ccc(Cl)cc1)C(=O)I
InChIInChI=1S/C10H11ClINO/c1-13-9(10(12)14)6-7-2-4-8(11)5-3-7/h2-5,9,13H,6H2,1H3/t9-/m1/s1
InChIKeyWFHUTBZUYJCGGE-SECBINFHSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.56
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(4-chlorophenyl)-2-(iodoamino)propanoyl iodide
CID 175698892
N-[1-(4-chlorophenyl)-3-oxobutan-2-yl]acetamide
CID 22111327
methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate
CID 89299505
4-(4-chlorophenyl)-3-(propan-2-ylamino)butan-2-one
CID 59295770
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
2-(tert-butylamino)-3-(4-chlorophenyl)propanoic acid
CID 59385300
methyl 3-(4-chlorophenyl)-2-(propan-2-ylamino)propanoate
CID 58866289
(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
CID 86090557
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091
methyl 4-(4-chlorophenyl)-3-methyl-2-oxobutanoate
CID 123596283
ethyl 3-(4-chlorophenyl)-2-(ethoxycarbonylamino)propanoate
CID 11001050

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide (CID 143607004) is (2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide is CN[C@H](Cc1ccc(Cl)cc1)C(=O)I.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide?
The InChIKey is WFHUTBZUYJCGGE-SECBINFHSA-N. The full InChI is InChI=1S/C10H11ClINO/c1-13-9(10(12)14)6-7-2-4-8(11)5-3-7/h2-5,9,13H,6H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide?
(2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide has a molecular weight of 323.56 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide is sourced from PubChem (CID 143607004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).