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

C20H18Cl2N2O3 — CID 90330733

IUPACN-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H18Cl2N2O3/c1-11(23-19(26)17-10-24(2)20(27)18(17)25)12-4-3-5-13(6-12)14-7-15(21)9-16(22)8-14/h3-9,11,25H,10H2,1-2H3,(H,23,26)
InChIKeyKCLCGFJMIMLPNP-UHFFFAOYSA-N
MW405.28 g/mol
LogP4.12
Rot. Bonds4

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

N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90330733) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90330733
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC NameN-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H18Cl2N2O3/c1-11(23-19(26)17-10-24(2)20(27)18(17)25)12-4-3-5-13(6-12)14-7-15(21)9-16(22)8-14/h3-9,11,25H,10H2,1-2H3,(H,23,26)
InChIKeyKCLCGFJMIMLPNP-UHFFFAOYSA-N
XLogP4.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330526
N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330525
4-hydroxy-1-methyl-5-oxo-N-[(1R)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]-2H-pyrrole-3-carboxamide
CID 90330464
N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103336877
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide
CID 123228941
N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 46417652
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51881405
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65355933
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
6-(3-chlorophenyl)-N-[(1R)-1-phenylethyl]pyrimidine-4-carboxamide
CID 44634188

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 90330733) is N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CC(NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is KCLCGFJMIMLPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c1-11(23-19(26)17-10-24(2)20(27)18(17)25)12-4-3-5-13(6-12)14-7-15(21)9-16(22)8-14/h3-9,11,25H,10H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 405.28 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,5-dichlorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).