(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide

C17H15ClN2O2 — CID 8976528

IUPAC(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-11-3-6-14(7-4-11)20-17(21)12(2)22-16-8-5-13(10-19)9-15(16)18/h3-9,12H,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyCSNGBRQVTYKTBL-LBPRGKRZSA-N
MW314.77 g/mol
LogP3.93
Rot. Bonds4

About (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide

(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide (PubChem CID 8976528) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
PubChem CID8976528
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-11-3-6-14(7-4-11)20-17(21)12(2)22-16-8-5-13(10-19)9-15(16)18/h3-9,12H,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyCSNGBRQVTYKTBL-LBPRGKRZSA-N
XLogP3.93
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9383986
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9383960
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
(2R)-2-(2-chloro-4-phenylphenoxy)-N-(4-cyanophenyl)propanamide
CID 7561215
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
CID 24500716
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420
N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide (CID 8976528) is (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2Cl)cc1.
What is the InChIKey of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide?
The InChIKey is CSNGBRQVTYKTBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-3-6-14(7-4-11)20-17(21)12(2)22-16-8-5-13(10-19)9-15(16)18/h3-9,12H,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide?
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide has a molecular weight of 314.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 8976528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).