(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide

C22H16Cl2N2O2 — CID 7670178

IUPAC(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide
SMILESC[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H16Cl2N2O2/c1-14(22(27)26-20-11-18(23)10-19(24)12-20)28-21-8-6-17(7-9-21)16-4-2-15(13-25)3-5-16/h2-12,14H,1H3,(H,26,27)/t14-/m0/s1
InChIKeyKXXVZXALBZWIOE-AWEZNQCLSA-N
MW411.29 g/mol
LogP5.94
Rot. Bonds5

About (2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide

(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide (PubChem CID 7670178) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is (2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide
PubChem CID7670178
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC Name(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide
SMILESC[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H16Cl2N2O2/c1-14(22(27)26-20-11-18(23)10-19(24)12-20)28-21-8-6-17(7-9-21)16-4-2-15(13-25)3-5-16/h2-12,14H,1H3,(H,26,27)/t14-/m0/s1
InChIKeyKXXVZXALBZWIOE-AWEZNQCLSA-N
XLogP5.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 42902010
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7977765
N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
CID 16548334
2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide
CID 2993977
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide
CID 7670550
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266186
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide (CID 7670178) is (2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide is C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is KXXVZXALBZWIOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c1-14(22(27)26-20-11-18(23)10-19(24)12-20)28-21-8-6-17(7-9-21)16-4-2-15(13-25)3-5-16/h2-12,14H,1H3,(H,26,27)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide?
(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 411.29 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 7670178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).