(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide

C18H16Cl2N2O2 — CID 7382543

IUPAC(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESC[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O2/c1-11(15-8-7-14(19)9-16(15)20)22-18(23)12(2)24-17-6-4-3-5-13(17)10-21/h3-9,11-12H,1-2H3,(H,22,23)/t11-,12-/m0/s1
InChIKeyVAGMJUWLFZCRCD-RYUDHWBXSA-N
MW363.24 g/mol
LogP4.51
Rot. Bonds5

About (2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide

(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide (PubChem CID 7382543) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is (2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
PubChem CID7382543
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESC[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O2/c1-11(15-8-7-14(19)9-16(15)20)22-18(23)12(2)24-17-6-4-3-5-13(17)10-21/h3-9,11-12H,1-2H3,(H,22,23)/t11-,12-/m0/s1
InChIKeyVAGMJUWLFZCRCD-RYUDHWBXSA-N
XLogP4.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
CID 7501082
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 7834441
(2R)-2-(2-acetamidophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2557949
2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 55326168
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931915
2-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7560443
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 7613626
2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 46525689
2-(2-cyanophenoxy)-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 55929836
(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
CID 7865460
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide (CID 7382543) is (2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide is C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
The InChIKey is VAGMJUWLFZCRCD-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-11(15-8-7-14(19)9-16(15)20)22-18(23)12(2)24-17-6-4-3-5-13(17)10-21/h3-9,11-12H,1-2H3,(H,22,23)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide has a molecular weight of 363.24 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide is sourced from PubChem (CID 7382543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).