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

C17H12ClN3O2 — CID 8976802

IUPAC(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H12ClN3O2/c1-11(23-16-7-4-13(10-20)8-15(16)18)17(22)21-14-5-2-12(9-19)3-6-14/h2-8,11H,1H3,(H,21,22)/t11-/m0/s1
InChIKeyHJHQNQTYIALYNZ-NSHDSACASA-N
MW325.76 g/mol
LogP3.49
Rot. Bonds4

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

(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide (PubChem CID 8976802) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
PubChem CID8976802
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H12ClN3O2/c1-11(23-16-7-4-13(10-20)8-15(16)18)17(22)21-14-5-2-12(9-19)3-6-14/h2-8,11H,1H3,(H,21,22)/t11-/m0/s1
InChIKeyHJHQNQTYIALYNZ-NSHDSACASA-N
XLogP3.49
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471
(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-(2-chloro-4-cyanophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9383986
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
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
N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide
CID 42990430
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 42902010

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide?
The IUPAC name of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide (CID 8976802) is (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide is C[C@H](Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide?
The InChIKey is HJHQNQTYIALYNZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H12ClN3O2/c1-11(23-16-7-4-13(10-20)8-15(16)18)17(22)21-14-5-2-12(9-19)3-6-14/h2-8,11H,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide?
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide has a molecular weight of 325.76 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 8976802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).