2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide

C18H19Cl2NO2 — CID 40666697

IUPAC2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-3-12(2)13-4-7-15(8-5-13)23-11-18(22)21-17-10-14(19)6-9-16(17)20/h4-10,12H,3,11H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyJOWVPDKWENLMBY-LBPRGKRZSA-N
MW352.26 g/mol
LogP5.52
Rot. Bonds6

About 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide

2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 40666697) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
PubChem CID40666697
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-3-12(2)13-4-7-15(8-5-13)23-11-18(22)21-17-10-14(19)6-9-16(17)20/h4-10,12H,3,11H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyJOWVPDKWENLMBY-LBPRGKRZSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 126211529
2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23096495
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
N-(2,5-dichlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7899903
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
CID 2210153
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
CID 19629255
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 8502071
N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40666712

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide (CID 40666697) is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide is CC[C@H](C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is JOWVPDKWENLMBY-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-3-12(2)13-4-7-15(8-5-13)23-11-18(22)21-17-10-14(19)6-9-16(17)20/h4-10,12H,3,11H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide?
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 352.26 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 40666697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).