(2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide

C16H13Cl2NO3 — CID 7762826

IUPAC(2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide
SMILESC[C@@H](Oc1ccccc1C=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2NO3/c1-10(22-15-5-3-2-4-11(15)9-20)16(21)19-14-8-12(17)6-7-13(14)18/h2-10H,1H3,(H,19,21)/t10-/m1/s1
InChIKeyZOFAPNLDIAEOKU-SNVBAGLBSA-N
MW338.19 g/mol
LogP4.21
Rot. Bonds5

About (2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide

(2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide (PubChem CID 7762826) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is (2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide
PubChem CID7762826
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name(2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide
SMILESC[C@@H](Oc1ccccc1C=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2NO3/c1-10(22-15-5-3-2-4-11(15)9-20)16(21)19-14-8-12(17)6-7-13(14)18/h2-10H,1H3,(H,19,21)/t10-/m1/s1
InChIKeyZOFAPNLDIAEOKU-SNVBAGLBSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762785
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 903590
(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7762821
N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944864
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
(2S)-2-(2,5-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 7269908
(2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide
CID 7762913
(2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837798
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide (CID 7762826) is (2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide is C[C@@H](Oc1ccccc1C=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide?
The InChIKey is ZOFAPNLDIAEOKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-10(22-15-5-3-2-4-11(15)9-20)16(21)19-14-8-12(17)6-7-13(14)18/h2-10H,1H3,(H,19,21)/t10-/m1/s1.
What are the key properties of (2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide?
(2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide has a molecular weight of 338.19 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide is sourced from PubChem (CID 7762826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).