(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide

C18H16Cl2N2O3 — CID 7992828

IUPAC(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide
SMILESCCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-3-24-17-6-12(10-21)4-5-16(17)25-11(2)18(23)22-15-8-13(19)7-14(20)9-15/h4-9,11H,3H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyGZPVBSFQTBYIQH-NSHDSACASA-N
MW379.24 g/mol
LogP4.67
Rot. Bonds6

About (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide

(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide (PubChem CID 7992828) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide
PubChem CID7992828
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide
SMILESCCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-3-24-17-6-12(10-21)4-5-16(17)25-11(2)18(23)22-15-8-13(19)7-14(20)9-15/h4-9,11H,3H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyGZPVBSFQTBYIQH-NSHDSACASA-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

(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7993037
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 8939166
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420
(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide
CID 7670178
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7993066
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9383960
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 51545374
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide (CID 7992828) is (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide is CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is GZPVBSFQTBYIQH-NSHDSACASA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-3-24-17-6-12(10-21)4-5-16(17)25-11(2)18(23)22-15-8-13(19)7-14(20)9-15/h4-9,11H,3H2,1-2H3,(H,22,23)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide?
(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-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 (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 7992828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).