1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide

C15H15Cl2N3O4 — CID 90948770

IUPAC1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(CC(N)=O)c(O)c1O
InChIInChI=1S/C15H15Cl2N3O4/c1-19(5-8-2-3-10(16)11(17)4-8)14(23)9-6-20(7-12(18)21)15(24)13(9)22/h2-4,6,22,24H,5,7H2,1H3,(H2,18,21)
InChIKeyINWOSTCKRUJAOU-UHFFFAOYSA-N
MW372.21 g/mol
LogP1.96
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide (PubChem CID 90948770) has the molecular formula C15H15Cl2N3O4 and a molecular weight of 372.21 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide
PubChem CID90948770
Molecular FormulaC15H15Cl2N3O4
Molecular Weight372.21 g/mol
Exact Mass371.04
IUPAC Name1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(CC(N)=O)c(O)c1O
InChIInChI=1S/C15H15Cl2N3O4/c1-19(5-8-2-3-10(16)11(17)4-8)14(23)9-6-20(7-12(18)21)15(24)13(9)22/h2-4,6,22,24H,5,7H2,1H3,(H2,18,21)
InChIKeyINWOSTCKRUJAOU-UHFFFAOYSA-N
XLogP1.96
TPSA108.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide
CID 91262646
methyl 4-[4-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-2,3-dihydroxypyrrol-1-yl]butanoate
CID 91604867
N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methyl-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]pyrrole-3-carboxamide
CID 90893163
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
ethyl 4-[4-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-2,3-dihydroxypyrrol-1-yl]piperidine-1-carboxylate
CID 90877004
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide
CID 112798219

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide (CID 90948770) is 1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(CC(N)=O)c(O)c1O.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide?
The InChIKey is INWOSTCKRUJAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O4/c1-19(5-8-2-3-10(16)11(17)4-8)14(23)9-6-20(7-12(18)21)15(24)13(9)22/h2-4,6,22,24H,5,7H2,1H3,(H2,18,21).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide has a molecular weight of 372.21 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide is sourced from PubChem (CID 90948770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).