N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide

C19H23ClN4O — CID 3722744

IUPACN-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(C=NNC(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O/c1-14-11-16(12-21-22-19(25)13-23-9-3-4-10-23)15(2)24(14)18-7-5-17(20)6-8-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,25)
InChIKeyFOWNCUBMWRYUJR-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.29
Rot. Bonds5

About N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide

N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide (PubChem CID 3722744) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
PubChem CID3722744
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(C=NNC(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O/c1-14-11-16(12-21-22-19(25)13-23-9-3-4-10-23)15(2)24(14)18-7-5-17(20)6-8-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,25)
InChIKeyFOWNCUBMWRYUJR-UHFFFAOYSA-N
XLogP3.29
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide (CID 3722744) is N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide is Cc1cc(C=NNC(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide?
The InChIKey is FOWNCUBMWRYUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-14-11-16(12-21-22-19(25)13-23-9-3-4-10-23)15(2)24(14)18-7-5-17(20)6-8-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,25).
What are the key properties of N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide?
N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide has a molecular weight of 358.87 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3722744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).