N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide

C14H14Cl2N2O3 — CID 91262646

IUPACN-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(C)c(O)c1O
InChIInChI=1S/C14H14Cl2N2O3/c1-17(6-8-3-4-10(15)11(16)5-8)13(20)9-7-18(2)14(21)12(9)19/h3-5,7,19,21H,6H2,1-2H3
InChIKeyYUYIQVXIWZGXSZ-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.02
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide

N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide (PubChem CID 91262646) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide
PubChem CID91262646
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(C)c(O)c1O
InChIInChI=1S/C14H14Cl2N2O3/c1-17(6-8-3-4-10(15)11(16)5-8)13(20)9-7-18(2)14(21)12(9)19/h3-5,7,19,21H,6H2,1-2H3
InChIKeyYUYIQVXIWZGXSZ-UHFFFAOYSA-N
XLogP3.02
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide
CID 90948770
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
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
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
3-tert-butyl-N-[(3,4-dichlorophenyl)methyl]-N,1-dimethylpyrazole-5-carboxamide
CID 78893100
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
CID 18081456
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide (CID 91262646) is N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(C)c(O)c1O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide?
The InChIKey is YUYIQVXIWZGXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-17(6-8-3-4-10(15)11(16)5-8)13(20)9-7-18(2)14(21)12(9)19/h3-5,7,19,21H,6H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide has a molecular weight of 329.18 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 91262646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).