(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide

C18H20ClNO2 — CID 94016157

IUPAC(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO2/c1-11-8-12(2)13(3)17(9-11)22-14(4)18(21)20-16-7-5-6-15(19)10-16/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyFPZJRIFVTYSRTP-AWEZNQCLSA-N
MW317.82 g/mol
LogP4.67
Rot. Bonds4

About (2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide

(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 94016157) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID94016157
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO2/c1-11-8-12(2)13(3)17(9-11)22-14(4)18(21)20-16-7-5-6-15(19)10-16/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyFPZJRIFVTYSRTP-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)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016158
(2S)-N-(4-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019096
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92678107
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
methyl 3-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate
CID 43885235
(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 38261962
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680538
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 46770459
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide (CID 94016157) is (2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is FPZJRIFVTYSRTP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-11-8-12(2)13(3)17(9-11)22-14(4)18(21)20-16-7-5-6-15(19)10-16/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)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)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 94016157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).