3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide

C20H24Cl2N2O — CID 42764278

IUPAC3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C20H24Cl2N2O/c1-20(2,14-21)19(25)24(16-9-10-16)13-17-7-5-11-23(17)12-15-6-3-4-8-18(15)22/h3-8,11,16H,9-10,12-14H2,1-2H3
InChIKeyZKSZAABMYPYBRG-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.95
Rot. Bonds7

About 3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide

3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide (PubChem CID 42764278) has the molecular formula C20H24Cl2N2O and a molecular weight of 379.33 g/mol. Its IUPAC name is 3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide
PubChem CID42764278
Molecular FormulaC20H24Cl2N2O
Molecular Weight379.33 g/mol
Exact Mass378.13
IUPAC Name3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C20H24Cl2N2O/c1-20(2,14-21)19(25)24(16-9-10-16)13-17-7-5-11-23(17)12-15-6-3-4-8-18(15)22/h3-8,11,16H,9-10,12-14H2,1-2H3
InChIKeyZKSZAABMYPYBRG-UHFFFAOYSA-N
XLogP4.95
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-2,2-dimethyl-N-(3-methylbutyl)propanamide
CID 3929952
4-tert-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylbenzamide
CID 42764279
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylpropanamide
CID 3980589
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylcyclopentanecarboxamide
CID 3987883
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 810247
ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate
CID 42764486
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylfuran-2-carboxamide
CID 3414991
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-3-cyclopentylpropanamide
CID 4010761
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylhexanamide
CID 5176645
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-(propylamino)acetamide
CID 42768565
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide
CID 42764244
1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-[2-(trifluoromethyl)phenyl]urea
CID 4597621

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide (CID 42764278) is 3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CC1.
What is the InChIKey of 3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide?
The InChIKey is ZKSZAABMYPYBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O/c1-20(2,14-21)19(25)24(16-9-10-16)13-17-7-5-11-23(17)12-15-6-3-4-8-18(15)22/h3-8,11,16H,9-10,12-14H2,1-2H3.
What are the key properties of 3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide?
3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide has a molecular weight of 379.33 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide is sourced from PubChem (CID 42764278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).