2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide

C14H14Cl2N2O2 — CID 12620177

IUPAC2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCc1ccc(C)n1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c1-9-3-4-10(2)18(9)17-14(19)8-20-13-6-5-11(15)7-12(13)16/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyALLMJXAIPUJAJD-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.56
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide (PubChem CID 12620177) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
PubChem CID12620177
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCc1ccc(C)n1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c1-9-3-4-10(2)18(9)17-14(19)8-20-13-6-5-11(15)7-12(13)16/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyALLMJXAIPUJAJD-UHFFFAOYSA-N
XLogP3.56
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 43822465
N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 3943337
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 575319

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide (CID 12620177) is 2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide is Cc1ccc(C)n1NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide?
The InChIKey is ALLMJXAIPUJAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-9-3-4-10(2)18(9)17-14(19)8-20-13-6-5-11(15)7-12(13)16/h3-7H,8H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide has a molecular weight of 313.18 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide is sourced from PubChem (CID 12620177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).