N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

C16H18Cl2N2O4 — CID 90302427

IUPACN-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESC[C@H](CCOc1c(Cl)cccc1Cl)NC(=O)C1=C(O)C(=O)N(C)C1
InChIInChI=1S/C16H18Cl2N2O4/c1-9(6-7-24-14-11(17)4-3-5-12(14)18)19-15(22)10-8-20(2)16(23)13(10)21/h3-5,9,21H,6-8H2,1-2H3,(H,19,22)/t9-/m1/s1
InChIKeyCDLUTDWPZJYTTA-SECBINFHSA-N
MW373.24 g/mol
LogP2.55
Rot. Bonds6

About N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90302427) has the molecular formula C16H18Cl2N2O4 and a molecular weight of 373.24 g/mol. Its IUPAC name is N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90302427
Molecular FormulaC16H18Cl2N2O4
Molecular Weight373.24 g/mol
Exact Mass372.06
IUPAC NameN-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESC[C@H](CCOc1c(Cl)cccc1Cl)NC(=O)C1=C(O)C(=O)N(C)C1
InChIInChI=1S/C16H18Cl2N2O4/c1-9(6-7-24-14-11(17)4-3-5-12(14)18)19-15(22)10-8-20(2)16(23)13(10)21/h3-5,9,21H,6-8H2,1-2H3,(H,19,22)/t9-/m1/s1
InChIKeyCDLUTDWPZJYTTA-SECBINFHSA-N
XLogP2.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330559
N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330733
N-[3-(2,6-dichlorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123420914
4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide
CID 90330455
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 86728184
N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-1-(3-hydroxybut-3-enyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 90306356
2-[3-[4-(3,4-dichlorophenyl)butan-2-ylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
CID 89489460
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60594908
1-(cyclopropylmethyl)-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 90314980
N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489409
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 90302427) is N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is C[C@H](CCOc1c(Cl)cccc1Cl)NC(=O)C1=C(O)C(=O)N(C)C1.
What is the InChIKey of N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is CDLUTDWPZJYTTA-SECBINFHSA-N. The full InChI is InChI=1S/C16H18Cl2N2O4/c1-9(6-7-24-14-11(17)4-3-5-12(14)18)19-15(22)10-8-20(2)16(23)13(10)21/h3-5,9,21H,6-8H2,1-2H3,(H,19,22)/t9-/m1/s1.
What are the key properties of N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90302427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).