(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide

C16H12Cl2N2O2 — CID 7613626

IUPAC(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide
SMILESC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H12Cl2N2O2/c1-10(22-15-8-12(17)6-7-13(15)18)16(21)20-14-5-3-2-4-11(14)9-19/h2-8,10H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyAIKGZYGKJQDSSD-JTQLQIEISA-N
MW335.19 g/mol
LogP4.27
Rot. Bonds4

About (2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide

(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide (PubChem CID 7613626) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is (2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide
PubChem CID7613626
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide
SMILESC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H12Cl2N2O2/c1-10(22-15-8-12(17)6-7-13(15)18)16(21)20-14-5-3-2-4-11(14)9-19/h2-8,10H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyAIKGZYGKJQDSSD-JTQLQIEISA-N
XLogP4.27
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 903590
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862555
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 894651
(2S)-2-(2,5-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 7269908
(2R)-N-(2-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7894228
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864771
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 7668733
[1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 42973290
N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide?
The IUPAC name of (2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide (CID 7613626) is (2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide is C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide?
The InChIKey is AIKGZYGKJQDSSD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-10(22-15-8-12(17)6-7-13(15)18)16(21)20-14-5-3-2-4-11(14)9-19/h2-8,10H,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide?
(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide has a molecular weight of 335.19 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide is sourced from PubChem (CID 7613626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).