(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide

C16H13ClFNO3 — CID 7762785

IUPAC(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide
SMILESC[C@H](Oc1ccccc1C=O)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClFNO3/c1-10(22-15-5-3-2-4-11(15)9-20)16(21)19-14-7-6-12(18)8-13(14)17/h2-10H,1H3,(H,19,21)/t10-/m0/s1
InChIKeyICDNJKBVQUABKY-JTQLQIEISA-N
MW321.74 g/mol
LogP3.70
Rot. Bonds5

About (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide

(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide (PubChem CID 7762785) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide
PubChem CID7762785
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide
SMILESC[C@H](Oc1ccccc1C=O)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClFNO3/c1-10(22-15-5-3-2-4-11(15)9-20)16(21)19-14-7-6-12(18)8-13(14)17/h2-10H,1H3,(H,19,21)/t10-/m0/s1
InChIKeyICDNJKBVQUABKY-JTQLQIEISA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.70
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

(2R)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834392
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834391
(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7707079
(2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762826
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009841
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 7467684
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 7713955
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698
(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7762821
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850668

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide (CID 7762785) is (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide is C[C@H](Oc1ccccc1C=O)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide?
The InChIKey is ICDNJKBVQUABKY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13ClFNO3/c1-10(22-15-5-3-2-4-11(15)9-20)16(21)19-14-7-6-12(18)8-13(14)17/h2-10H,1H3,(H,19,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide?
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide has a molecular weight of 321.74 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide is sourced from PubChem (CID 7762785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).