2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide

C19H20ClNO4 — CID 51141743

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO4/c1-24-12-2-11-21-18(22)13-25-17-9-5-15(6-10-17)19(23)14-3-7-16(20)8-4-14/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyXLFQEJHLYBRPAW-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.10
Rot. Bonds9

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 51141743) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID51141743
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO4/c1-24-12-2-11-21-18(22)13-25-17-9-5-15(6-10-17)19(23)14-3-7-16(20)8-4-14/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyXLFQEJHLYBRPAW-UHFFFAOYSA-N
XLogP3.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
methyl 6-[[2-(4-chlorophenoxy)acetyl]amino]hexanoate
CID 43404589
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 110407721
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63365686
2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide
CID 107322523
methyl 3-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 8806513
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide
CID 62668489
2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide
CID 24682749

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide (CID 51141743) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is XLFQEJHLYBRPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-24-12-2-11-21-18(22)13-25-17-9-5-15(6-10-17)19(23)14-3-7-16(20)8-4-14/h3-10H,2,11-13H2,1H3,(H,21,22).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 361.83 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 51141743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).