(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide

C18H20ClNO2 — CID 8760048

IUPAC(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-11-9-12(2)17(13(3)10-11)20-18(21)14(4)22-16-7-5-15(19)6-8-16/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyNYQUDFCYAPLPTN-AWEZNQCLSA-N
MW317.82 g/mol
LogP4.67
Rot. Bonds4

About (2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide

(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 8760048) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID8760048
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-11-9-12(2)17(13(3)10-11)20-18(21)14(4)22-16-7-5-15(19)6-8-16/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyNYQUDFCYAPLPTN-AWEZNQCLSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
(2S)-2-(4-fluorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 26074940
N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 53265828
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
1-[1-(4-chlorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108879801
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
CID 7795231
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
CID 124506694
5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide
CID 51263861
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 51166464

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide (CID 8760048) is (2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is NYQUDFCYAPLPTN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-11-9-12(2)17(13(3)10-11)20-18(21)14(4)22-16-7-5-15(19)6-8-16/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 8760048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).