(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide

C18H16Cl2N2O3 — CID 7993037

IUPAC(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide
SMILESCCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c1-3-24-17-8-12(10-21)4-7-16(17)25-11(2)18(23)22-15-9-13(19)5-6-14(15)20/h4-9,11H,3H2,1-2H3,(H,22,23)/t11-/m1/s1
InChIKeyGUKINAVQIFYNSQ-LLVKDONJSA-N
MW379.24 g/mol
LogP4.67
Rot. Bonds6

About (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide

(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide (PubChem CID 7993037) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide
PubChem CID7993037
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide
SMILESCCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c1-3-24-17-8-12(10-21)4-7-16(17)25-11(2)18(23)22-15-9-13(19)5-6-14(15)20/h4-9,11H,3H2,1-2H3,(H,22,23)/t11-/m1/s1
InChIKeyGUKINAVQIFYNSQ-LLVKDONJSA-N
XLogP4.67
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7992828
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 8939166
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009455
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420
N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
CID 112685938
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 24500719
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009854
N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 51545374
N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
CID 16548334

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide (CID 7993037) is (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide is CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is GUKINAVQIFYNSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-3-24-17-8-12(10-21)4-7-16(17)25-11(2)18(23)22-15-9-13(19)5-6-14(15)20/h4-9,11H,3H2,1-2H3,(H,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide?
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 379.24 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 7993037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).