2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide

C15H16Cl2N2O — CID 31217635

IUPAC2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)n1C
InChIInChI=1S/C15H16Cl2N2O/c1-10-6-7-11(19(10)2)9-18-15(20)8-12-13(16)4-3-5-14(12)17/h3-7H,8-9H2,1-2H3,(H,18,20)
InChIKeyZYILRHMOAVVEAY-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.50
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide

2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide (PubChem CID 31217635) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
PubChem CID31217635
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)n1C
InChIInChI=1S/C15H16Cl2N2O/c1-10-6-7-11(19(10)2)9-18-15(20)8-12-13(16)4-3-5-14(12)17/h3-7H,8-9H2,1-2H3,(H,18,20)
InChIKeyZYILRHMOAVVEAY-UHFFFAOYSA-N
XLogP3.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 167879268
3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide
CID 32770995
methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate
CID 131155774
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958534
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide
CID 62832866
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 4786534
2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide
CID 31218102
2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 47312763
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2579290
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
2-(2,6-dichlorophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 17405202

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide (CID 31217635) is 2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)n1C.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
The InChIKey is ZYILRHMOAVVEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-10-6-7-11(19(10)2)9-18-15(20)8-12-13(16)4-3-5-14(12)17/h3-7H,8-9H2,1-2H3,(H,18,20).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide has a molecular weight of 311.21 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 31217635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).