2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide

C19H22ClNO2 — CID 4937449

IUPAC2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H22ClNO2/c1-4-13(2)16-7-5-6-8-18(16)23-12-19(22)21-17-11-15(20)10-9-14(17)3/h5-11,13H,4,12H2,1-3H3,(H,21,22)
InChIKeyLGQGEJFDWGBMOT-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.18
Rot. Bonds6

About 2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide

2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 4937449) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID4937449
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H22ClNO2/c1-4-13(2)16-7-5-6-8-18(16)23-12-19(22)21-17-11-15(20)10-9-14(17)3/h5-11,13H,4,12H2,1-3H3,(H,21,22)
InChIKeyLGQGEJFDWGBMOT-UHFFFAOYSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770477
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217
N-[2-(2-butan-2-ylphenoxy)ethyl]-5-chloro-2-methylaniline
CID 54798469
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511864
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
CID 7936062
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2378568
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780428
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-5-methylbenzoic acid
CID 2914637
2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoic acid
CID 839384
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 19202393

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide (CID 4937449) is 2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide is CCC(C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is LGQGEJFDWGBMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-4-13(2)16-7-5-6-8-18(16)23-12-19(22)21-17-11-15(20)10-9-14(17)3/h5-11,13H,4,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide?
2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 331.84 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 4937449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).