N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide

C12H15Cl2NO2 — CID 106845414

IUPACN-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCCCl
InChIInChI=1S/C12H15Cl2NO2/c13-7-1-2-8-15-12(16)9-17-11-5-3-10(14)4-6-11/h3-6H,1-2,7-9H2,(H,15,16)
InChIKeyYJUNNXDZGONMOG-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.85
Rot. Bonds7

About N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide

N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 106845414) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
PubChem CID106845414
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC NameN-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCCCl
InChIInChI=1S/C12H15Cl2NO2/c13-7-1-2-8-15-12(16)9-17-11-5-3-10(14)4-6-11/h3-6H,1-2,7-9H2,(H,15,16)
InChIKeyYJUNNXDZGONMOG-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide
CID 107322523
methyl 6-[[2-(4-chlorophenoxy)acetyl]amino]hexanoate
CID 43404589
2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide
CID 62668489
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
2-(4-chlorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64517612
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-cyanoacetamide
CID 108537322
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108573287

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide (CID 106845414) is N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NCCCCCl.
What is the InChIKey of N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is YJUNNXDZGONMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c13-7-1-2-8-15-12(16)9-17-11-5-3-10(14)4-6-11/h3-6H,1-2,7-9H2,(H,15,16).
What are the key properties of N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide?
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 276.16 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 106845414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).