(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide

C19H22ClNO2 — CID 92680538

IUPAC(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H22ClNO2/c1-11-9-12(2)13(3)18(10-11)23-15(5)19(22)21-17-8-6-7-16(20)14(17)4/h6-10,15H,1-5H3,(H,21,22)/t15-/m0/s1
InChIKeyLXJCYQNULPCSHL-HNNXBMFYSA-N
MW331.84 g/mol
LogP4.98
Rot. Bonds4

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

(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 92680538) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID92680538
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H22ClNO2/c1-11-9-12(2)13(3)18(10-11)23-15(5)19(22)21-17-8-6-7-16(20)14(17)4/h6-10,15H,1-5H3,(H,21,22)/t15-/m0/s1
InChIKeyLXJCYQNULPCSHL-HNNXBMFYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
(2R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30397776
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 46770459
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
(2R)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016158
(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016157
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide
CID 28580606
(2S)-N-(4-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019096
N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 134019274
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
2-(2,4-dichlorophenoxy)-N-(3-fluoro-2-methylphenyl)propanamide
CID 2916938

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide (CID 92680538) is (2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of (2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is LXJCYQNULPCSHL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-11-9-12(2)13(3)18(10-11)23-15(5)19(22)21-17-8-6-7-16(20)14(17)4/h6-10,15H,1-5H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 92680538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).