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

C19H17ClN2O4 — CID 90330559

IUPACN-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(Oc3ccccc3Cl)cc2)=C(O)C1=O
InChIInChI=1S/C19H17ClN2O4/c1-22-11-14(17(23)19(22)25)18(24)21-10-12-6-8-13(9-7-12)26-16-5-3-2-4-15(16)20/h2-9,23H,10-11H2,1H3,(H,21,24)
InChIKeyNTNOVZFSPZATFS-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.03
Rot. Bonds5

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

N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90330559) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90330559
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC NameN-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(Oc3ccccc3Cl)cc2)=C(O)C1=O
InChIInChI=1S/C19H17ClN2O4/c1-22-11-14(17(23)19(22)25)18(24)21-10-12-6-8-13(9-7-12)26-16-5-3-2-4-15(16)20/h2-9,23H,10-11H2,1H3,(H,21,24)
InChIKeyNTNOVZFSPZATFS-UHFFFAOYSA-N
XLogP3.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(3-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330583
N-[[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 71548656
4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide
CID 90330455
N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489409
3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide
CID 67534870
N-[(2R)-4-(2,6-dichlorophenoxy)butan-2-yl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90302427
4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide
CID 46649852
4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
CID 90336602
2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843564
N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43282969
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide
CID 54733179

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 90330559) is N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCc2ccc(Oc3ccccc3Cl)cc2)=C(O)C1=O.
What is the InChIKey of N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is NTNOVZFSPZATFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-22-11-14(17(23)19(22)25)18(24)21-10-12-6-8-13(9-7-12)26-16-5-3-2-4-15(16)20/h2-9,23H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).