2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide

C13H17BrClNO2 — CID 19201316

IUPAC2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO2/c1-2-3-4-7-16-13(17)9-18-12-6-5-10(15)8-11(12)14/h5-6,8H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyPVWKKBKNDHYMOE-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.79
Rot. Bonds7

About 2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide

2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide (PubChem CID 19201316) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
PubChem CID19201316
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO2/c1-2-3-4-7-16-13(17)9-18-12-6-5-10(15)8-11(12)14/h5-6,8H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyPVWKKBKNDHYMOE-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 26217578
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114245
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752
N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7979841
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide (CID 19201316) is 2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide is CCCCCNC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide?
The InChIKey is PVWKKBKNDHYMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-2-3-4-7-16-13(17)9-18-12-6-5-10(15)8-11(12)14/h5-6,8H,2-4,7,9H2,1H3,(H,16,17).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide?
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide has a molecular weight of 334.64 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide is sourced from PubChem (CID 19201316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).