1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide

C24H27ClN4O2 — CID 55973072

IUPAC1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(NC(=O)CN(C)C)c2)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN4O2/c1-16-12-22(17(2)29(16)21-10-8-19(25)9-11-21)24(31)26-14-18-6-5-7-20(13-18)27-23(30)15-28(3)4/h5-13H,14-15H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyWBLATTWXHUDVLF-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.18
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide

1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55973072) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55973072
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(NC(=O)CN(C)C)c2)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN4O2/c1-16-12-22(17(2)29(16)21-10-8-19(25)9-11-21)24(31)26-14-18-6-5-7-20(13-18)27-23(30)15-28(3)4/h5-13H,14-15H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyWBLATTWXHUDVLF-UHFFFAOYSA-N
XLogP4.18
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 87019841
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
CID 55797093
1-(4-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55909395
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55797410
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide
CID 55800468
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55797120
2-[(4-chlorophenoxy)methyl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55797096
4-(4-chloro-2-methylphenoxy)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 55797087
2-chloro-N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55797348
1-(4-chlorophenyl)-2,5-dimethyl-N-[2-(methylamino)propyl]pyrrole-3-carboxamide
CID 120826815
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55797255
N-[3-[[[C-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]-2-(dimethylamino)acetamide
CID 111186647

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide (CID 55973072) is 1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCc2cccc(NC(=O)CN(C)C)c2)c(C)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is WBLATTWXHUDVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-16-12-22(17(2)29(16)21-10-8-19(25)9-11-21)24(31)26-14-18-6-5-7-20(13-18)27-23(30)15-28(3)4/h5-13H,14-15H2,1-4H3,(H,26,31)(H,27,30).
What are the key properties of 1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide?
1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55973072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).