N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide

C13H17Cl2NO2 — CID 110769539

IUPACN-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
SMILESCCCCNC(=O)Cc1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-4-5-16-13(17)7-9-6-11(15)12(18-2)8-10(9)14/h6,8H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyQEOKWSZSMUDOOX-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.46
Rot. Bonds6

About N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide

N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide (PubChem CID 110769539) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
PubChem CID110769539
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC NameN-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
SMILESCCCCNC(=O)Cc1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-4-5-16-13(17)7-9-6-11(15)12(18-2)8-10(9)14/h6,8H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyQEOKWSZSMUDOOX-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.46
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-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 110768709
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide
CID 54785381
N-butyl-2-(2-ethynyl-4,5-dimethoxyphenyl)acetamide
CID 53343006
2-(2,5-dichloro-4-methoxyphenyl)ethylurea
CID 115168522
3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109102088
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide
CID 113157009
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
5-[2-(butylamino)-2-oxoethyl]-2-methoxybenzenesulfonyl chloride
CID 65367934
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82481590

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide?
The IUPAC name of N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide (CID 110769539) is N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide is CCCCNC(=O)Cc1cc(Cl)c(OC)cc1Cl.
What is the InChIKey of N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide?
The InChIKey is QEOKWSZSMUDOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-3-4-5-16-13(17)7-9-6-11(15)12(18-2)8-10(9)14/h6,8H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide?
N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide has a molecular weight of 290.19 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 110769539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).