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

C18H18ClNO3 — CID 7643095

IUPACN-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-13(21)6-7-14-8-10-15(11-9-14)23-12-18(22)20-17-5-3-2-4-16(17)19/h2-5,8-11H,6-7,12H2,1H3,(H,20,22)
InChIKeyZPQKTOJEEZVBNC-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.88
Rot. Bonds7

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

N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 7643095) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID7643095
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-13(21)6-7-14-8-10-15(11-9-14)23-12-18(22)20-17-5-3-2-4-16(17)19/h2-5,8-11H,6-7,12H2,1H3,(H,20,22)
InChIKeyZPQKTOJEEZVBNC-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643135
N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643107
N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643132
N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643093
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
CID 48980503
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
CID 28547111
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513816
4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3286978
3-(4-tert-butylphenyl)-N-(2-chlorophenyl)propanamide
CID 19221189
N-(2-bromophenyl)-2-(4-propylphenoxy)acetamide
CID 19180395

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 7643095) is N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is CC(=O)CCc1ccc(OCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is ZPQKTOJEEZVBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-13(21)6-7-14-8-10-15(11-9-14)23-12-18(22)20-17-5-3-2-4-16(17)19/h2-5,8-11H,6-7,12H2,1H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 331.80 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 7643095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).