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

C16H12Cl2N2O2 — CID 42990430

IUPACN-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H12Cl2N2O2/c1-10(22-14-4-2-3-13(17)15(14)18)16(21)20-12-7-5-11(9-19)6-8-12/h2-8,10H,1H3,(H,20,21)
InChIKeyMVZGXMKWQPDFTJ-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.27
Rot. Bonds4

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

N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide (PubChem CID 42990430) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide
PubChem CID42990430
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC NameN-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H12Cl2N2O2/c1-10(22-14-4-2-3-13(17)15(14)18)16(21)20-12-7-5-11(9-19)6-8-12/h2-8,10H,1H3,(H,20,21)
InChIKeyMVZGXMKWQPDFTJ-UHFFFAOYSA-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-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
2-(2,3-dichlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 42990455
(2R)-2-(2-chloro-4-phenylphenoxy)-N-(4-cyanophenyl)propanamide
CID 7561215
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471
2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide
CID 2993977
N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 16529582
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
CID 7859050

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide (CID 42990430) is N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide is CC(Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide?
The InChIKey is MVZGXMKWQPDFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-10(22-14-4-2-3-13(17)15(14)18)16(21)20-12-7-5-11(9-19)6-8-12/h2-8,10H,1H3,(H,20,21).
What are the key properties of N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide?
N-(4-cyanophenyl)-2-(2,3-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 N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide is sourced from PubChem (CID 42990430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).