2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide

C18H19ClFNO2 — CID 7643302

IUPAC2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H19ClFNO2/c1-3-12(2)13-4-7-15(8-5-13)23-11-18(22)21-17-9-6-14(20)10-16(17)19/h4-10,12H,3,11H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyFYEBUICWJYBYDE-LBPRGKRZSA-N
MW335.81 g/mol
LogP5.01
Rot. Bonds6

About 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide

2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide (PubChem CID 7643302) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
PubChem CID7643302
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H19ClFNO2/c1-3-12(2)13-4-7-15(8-5-13)23-11-18(22)21-17-9-6-14(20)10-16(17)19/h4-10,12H,3,11H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyFYEBUICWJYBYDE-LBPRGKRZSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.81
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
CID 2210153
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
N-(2-chloro-4-fluorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26693197
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 40719319
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414
ethyl 3-chloro-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 99949279
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide
CID 4623052

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide (CID 7643302) is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide is CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide?
The InChIKey is FYEBUICWJYBYDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-3-12(2)13-4-7-15(8-5-13)23-11-18(22)21-17-9-6-14(20)10-16(17)19/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-chloro-4-fluorophenyl)acetamide?
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide has a molecular weight of 335.81 g/mol, XLogP of 5.01, 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-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 7643302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).