N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide

C15H16Cl2N2O4 — CID 54704636

IUPACN-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(CCO)C1
InChIInChI=1S/C15H16Cl2N2O4/c1-18(7-9-2-3-11(16)12(17)6-9)14(22)10-8-19(4-5-20)15(23)13(10)21/h2-3,6,20-21H,4-5,7-8H2,1H3
InChIKeyFBKSFBUKGOTCCH-UHFFFAOYSA-N
MW359.21 g/mol
LogP1.60
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide

N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 54704636) has the molecular formula C15H16Cl2N2O4 and a molecular weight of 359.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID54704636
Molecular FormulaC15H16Cl2N2O4
Molecular Weight359.21 g/mol
Exact Mass358.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(CCO)C1
InChIInChI=1S/C15H16Cl2N2O4/c1-18(7-9-2-3-11(16)12(17)6-9)14(22)10-8-19(4-5-20)15(23)13(10)21/h2-3,6,20-21H,4-5,7-8H2,1H3
InChIKeyFBKSFBUKGOTCCH-UHFFFAOYSA-N
XLogP1.60
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]pentanoate
CID 142849014
butan-2-yloxy-[2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl]phosphinic acid
CID 87937898
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-[4-oxo-4-[(1-phenylcyclopropyl)sulfonylamino]butyl]-2H-pyrrole-3-carboxamide
CID 54704662
N-[(3,4-dichlorophenyl)methyl]-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-oxobutyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 54704631
N-[3-[3-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propylamino]propyl]-N-ethyl-2H-azepine-3-carboxamide
CID 142849038
1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 54698184
1-[2-[acetyl(methyl)amino]ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 118014439
N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide
CID 91262646
N-[3-(3,4-dichlorophenyl)propyl]-1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489429
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(5-methylhexyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 158847179
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-(3-hydroxybut-3-enyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 90306356

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 54704636) is N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(CCO)C1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is FBKSFBUKGOTCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4/c1-18(7-9-2-3-11(16)12(17)6-9)14(22)10-8-19(4-5-20)15(23)13(10)21/h2-3,6,20-21H,4-5,7-8H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 359.21 g/mol, XLogP of 1.60, 5 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-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54704636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).