(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide

C16H12Cl2N2O2 — CID 7433052

IUPAC(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H12Cl2N2O2/c1-10(22-13-6-7-14(17)15(18)8-13)16(21)20-12-4-2-11(9-19)3-5-12/h2-8,10H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyNEHZLUSISCQZNZ-JTQLQIEISA-N
MW335.19 g/mol
LogP4.27
Rot. Bonds4

About (2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide

(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide (PubChem CID 7433052) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is (2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
PubChem CID7433052
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H12Cl2N2O2/c1-10(22-13-6-7-14(17)15(18)8-13)16(21)20-12-4-2-11(9-19)3-5-12/h2-8,10H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyNEHZLUSISCQZNZ-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

2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide
CID 2993977
(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7751387
N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
CID 55793168
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 42902010
(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide
CID 7670178
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide (CID 7433052) is (2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide is C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide?
The InChIKey is NEHZLUSISCQZNZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-10(22-13-6-7-14(17)15(18)8-13)16(21)20-12-4-2-11(9-19)3-5-12/h2-8,10H,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide?
(2S)-N-(4-cyanophenyl)-2-(3,4-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-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 7433052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).