N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide

C19H20ClNO3 — CID 7643135

IUPACN-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-13-3-10-18(17(20)11-13)21-19(23)12-24-16-8-6-15(7-9-16)5-4-14(2)22/h3,6-11H,4-5,12H2,1-2H3,(H,21,23)
InChIKeyIHWSMPHYIVFQPK-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.19
Rot. Bonds7

About N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide

N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 7643135) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID7643135
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-13-3-10-18(17(20)11-13)21-19(23)12-24-16-8-6-15(7-9-16)5-4-14(2)22/h3,6-11H,4-5,12H2,1-2H3,(H,21,23)
InChIKeyIHWSMPHYIVFQPK-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643095
N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893677
N-(2-chloro-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 7926753
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643107
N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643093
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7894417
N-(2-chloro-4-methylphenyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 7602844
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 2524042

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 7643135) is N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is CC(=O)CCc1ccc(OCC(=O)Nc2ccc(C)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is IHWSMPHYIVFQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13-3-10-18(17(20)11-13)21-19(23)12-24-16-8-6-15(7-9-16)5-4-14(2)22/h3,6-11H,4-5,12H2,1-2H3,(H,21,23).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 345.83 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 7643135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).