(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide

C19H22ClNO2 — CID 734849

IUPAC(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C19H22ClNO2/c1-11-6-12(2)8-16(7-11)21-19(22)15(5)23-17-9-13(3)18(20)14(4)10-17/h6-10,15H,1-5H3,(H,21,22)/t15-/m0/s1
InChIKeyBFJLFLPJDRHTKJ-HNNXBMFYSA-N
MW331.84 g/mol
LogP4.98
Rot. Bonds4

About (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide

(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide (PubChem CID 734849) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
PubChem CID734849
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C19H22ClNO2/c1-11-6-12(2)8-16(7-11)21-19(22)15(5)23-17-9-13(3)18(20)14(4)10-17/h6-10,15H,1-5H3,(H,21,22)/t15-/m0/s1
InChIKeyBFJLFLPJDRHTKJ-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

2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 21367472
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504
methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 19191615
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 19191588
N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 19228929
methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 1177997
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266186

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide (CID 734849) is (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1.
What is the InChIKey of (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is BFJLFLPJDRHTKJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-11-6-12(2)8-16(7-11)21-19(22)15(5)23-17-9-13(3)18(20)14(4)10-17/h6-10,15H,1-5H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide?
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)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)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 734849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).