N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide

C18H19ClN2O5 — CID 24552477

IUPACN-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O5/c19-14-3-7-16(8-4-14)25-12-2-1-11-20-18(22)13-26-17-9-5-15(6-10-17)21(23)24/h3-10H,1-2,11-13H2,(H,20,22)
InChIKeyGSJBGAWSLNMQHM-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.60
Rot. Bonds10

About N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide

N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 24552477) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
PubChem CID24552477
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC NameN-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O5/c19-14-3-7-16(8-4-14)25-12-2-1-11-20-18(22)13-26-17-9-5-15(6-10-17)21(23)24/h3-10H,1-2,11-13H2,(H,20,22)
InChIKeyGSJBGAWSLNMQHM-UHFFFAOYSA-N
XLogP3.60
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
CID 27680554
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide
CID 62668489
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561
2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide
CID 107322523
N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 9012111
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide
CID 55660304
methyl 6-[[2-(4-chlorophenoxy)acetyl]amino]hexanoate
CID 43404589
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide (CID 24552477) is N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NCCCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is GSJBGAWSLNMQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c19-14-3-7-16(8-4-14)25-12-2-1-11-20-18(22)13-26-17-9-5-15(6-10-17)21(23)24/h3-10H,1-2,11-13H2,(H,20,22).
What are the key properties of N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide?
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 378.81 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 24552477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).