(2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide

C12H15ClINO2 — CID 118117116

IUPAC(2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide
SMILESC[C@H](Cl)C(=O)N[C@@H](CO)Cc1cccc(I)c1
InChIInChI=1S/C12H15ClINO2/c1-8(13)12(17)15-11(7-16)6-9-3-2-4-10(14)5-9/h2-5,8,11,16H,6-7H2,1H3,(H,15,17)/t8-,11+/m0/s1
InChIKeyOZWXMJSNSVONMA-GZMMTYOYSA-N
MW367.61 g/mol
LogP1.94
Rot. Bonds5

About (2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide

(2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide (PubChem CID 118117116) has the molecular formula C12H15ClINO2 and a molecular weight of 367.61 g/mol. Its IUPAC name is (2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide
PubChem CID118117116
Molecular FormulaC12H15ClINO2
Molecular Weight367.61 g/mol
Exact Mass366.98
IUPAC Name(2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide
SMILESC[C@H](Cl)C(=O)N[C@@H](CO)Cc1cccc(I)c1
InChIInChI=1S/C12H15ClINO2/c1-8(13)12(17)15-11(7-16)6-9-3-2-4-10(14)5-9/h2-5,8,11,16H,6-7H2,1H3,(H,15,17)/t8-,11+/m0/s1
InChIKeyOZWXMJSNSVONMA-GZMMTYOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55169772
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
1-iodo-3-(2-methylpropyl)benzene
CID 18417600
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 55168822
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
CID 10857796
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide
CID 4990311

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide?
The IUPAC name of (2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide (CID 118117116) is (2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide is C[C@H](Cl)C(=O)N[C@@H](CO)Cc1cccc(I)c1.
What is the InChIKey of (2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide?
The InChIKey is OZWXMJSNSVONMA-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H15ClINO2/c1-8(13)12(17)15-11(7-16)6-9-3-2-4-10(14)5-9/h2-5,8,11,16H,6-7H2,1H3,(H,15,17)/t8-,11+/m0/s1.
What are the key properties of (2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide?
(2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide has a molecular weight of 367.61 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide is sourced from PubChem (CID 118117116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).