(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide

C15H13ClINO2 — CID 1313423

IUPAC(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(I)c1
InChIInChI=1S/C15H13ClINO2/c1-10(20-14-7-2-4-11(16)8-14)15(19)18-13-6-3-5-12(17)9-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyWPLVVTJHDASGRE-JTQLQIEISA-N
MW401.63 g/mol
LogP4.35
Rot. Bonds4

About (2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide

(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide (PubChem CID 1313423) has the molecular formula C15H13ClINO2 and a molecular weight of 401.63 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
PubChem CID1313423
Molecular FormulaC15H13ClINO2
Molecular Weight401.63 g/mol
Exact Mass400.97
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(I)c1
InChIInChI=1S/C15H13ClINO2/c1-10(20-14-7-2-4-11(16)8-14)15(19)18-13-6-3-5-12(17)9-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyWPLVVTJHDASGRE-JTQLQIEISA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.63
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide
CID 9497360
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide
CID 26517522
methyl N-[4-[1-(3-iodoanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 60522538
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide (CID 1313423) is (2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(I)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide?
The InChIKey is WPLVVTJHDASGRE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13ClINO2/c1-10(20-14-7-2-4-11(16)8-14)15(19)18-13-6-3-5-12(17)9-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide?
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide has a molecular weight of 401.63 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide is sourced from PubChem (CID 1313423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).