N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide

C20H22ClNO3 — CID 18276979

IUPACN-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2cc(C(C)C)c(Cl)cc2C)c1
InChIInChI=1S/C20H22ClNO3/c1-12(2)17-10-19(13(3)8-18(17)21)25-11-20(24)22-16-7-5-6-15(9-16)14(4)23/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyOMXQNBORUKGDSD-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.99
Rot. Bonds6

About N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide

N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide (PubChem CID 18276979) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide
PubChem CID18276979
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC NameN-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2cc(C(C)C)c(Cl)cc2C)c1
InChIInChI=1S/C20H22ClNO3/c1-12(2)17-10-19(13(3)8-18(17)21)25-11-20(24)22-16-7-5-6-15(9-16)14(4)23/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyOMXQNBORUKGDSD-UHFFFAOYSA-N
XLogP4.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 26051759
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9355643
N-(3-acetamidophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978105
N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17360274
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide (CID 18276979) is N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide is CC(=O)c1cccc(NC(=O)COc2cc(C(C)C)c(Cl)cc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide?
The InChIKey is OMXQNBORUKGDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-12(2)17-10-19(13(3)8-18(17)21)25-11-20(24)22-16-7-5-6-15(9-16)14(4)23/h5-10,12H,11H2,1-4H3,(H,22,24).
What are the key properties of N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide?
N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide has a molecular weight of 359.85 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 18276979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).