N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide

C12H10Cl2N2O — CID 110688644

IUPACN-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O/c13-9-3-4-10(14)11(7-9)15-12(17)8-16-5-1-2-6-16/h1-7H,8H2,(H,15,17)
InChIKeyPNPJBRLKXIKRBJ-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.43
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide

N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide (PubChem CID 110688644) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
PubChem CID110688644
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC NameN-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O/c13-9-3-4-10(14)11(7-9)15-12(17)8-16-5-1-2-6-16/h1-7H,8H2,(H,15,17)
InChIKeyPNPJBRLKXIKRBJ-UHFFFAOYSA-N
XLogP3.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688645
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 4571080
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
CID 26577783

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide (CID 110688644) is N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide?
The InChIKey is PNPJBRLKXIKRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-9-3-4-10(14)11(7-9)15-12(17)8-16-5-1-2-6-16/h1-7H,8H2,(H,15,17).
What are the key properties of N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide?
N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide has a molecular weight of 269.13 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 110688644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).