2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide

C19H22ClNO2 — CID 95185642

IUPAC2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide
SMILESCC(C)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-14(2)18(12-15-6-4-3-5-7-15)21-19(22)13-23-17-10-8-16(20)9-11-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyLGNVQSJCRHBUSR-SFHVURJKSA-N
MW331.84 g/mol
LogP4.10
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide

2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide (PubChem CID 95185642) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide
PubChem CID95185642
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide
SMILESCC(C)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-14(2)18(12-15-6-4-3-5-7-15)21-19(22)13-23-17-10-8-16(20)9-11-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyLGNVQSJCRHBUSR-SFHVURJKSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-(3-methyl-1-phenylbutan-2-yl)acetamide
CID 53338213
2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 74554708
(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157390
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 123862391
N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 114316131
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086751
N-(1-bromo-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 106355216
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-oxobutan-2-yl]acetamide
CID 88598926
2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide (CID 95185642) is 2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide is CC(C)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide?
The InChIKey is LGNVQSJCRHBUSR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14(2)18(12-15-6-4-3-5-7-15)21-19(22)13-23-17-10-8-16(20)9-11-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide has a molecular weight of 331.84 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 95185642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).