(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

C21H19ClN2O2 — CID 92534595

IUPAC(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C21H19ClN2O2/c1-15(26-20-8-4-18(22)5-9-20)21(25)24-19-6-2-16(3-7-19)14-17-10-12-23-13-11-17/h2-13,15H,14H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyTYOWKMWZPLPVSF-HNNXBMFYSA-N
MW366.85 g/mol
LogP4.73
Rot. Bonds6

About (2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (PubChem CID 92534595) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
PubChem CID92534595
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C21H19ClN2O2/c1-15(26-20-8-4-18(22)5-9-20)21(25)24-19-6-2-16(3-7-19)14-17-10-12-23-13-11-17/h2-13,15H,14H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyTYOWKMWZPLPVSF-HNNXBMFYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
2-(4-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 51193889
2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 133211166
(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558956
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
(2R)-N-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 7467575
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (CID 92534595) is (2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The InChIKey is TYOWKMWZPLPVSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-15(26-20-8-4-18(22)5-9-20)21(25)24-19-6-2-16(3-7-19)14-17-10-12-23-13-11-17/h2-13,15H,14H2,1H3,(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide has a molecular weight of 366.85 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 92534595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).