1-{2-[5-(4-chlorobenzoyl)-1,4-di-methyl-1H-pyrrol-2-ylmethyl]pyridin-5-yl}-3-methylurea

HCID 53663950
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Basic information

Standard SMILES
CNC(=O)Nc1ccc(Cc2cc(C)c(C(=O)c3ccc(Cl)cc3)n2C)nc1
InChIKey
AVGKUTWUZQBNQE-UHFFFAOYSA-N
Molecular formula
C21H21ClN4O2
Average molar mass
396.9 g/mol

Names & identifiers

Preferred name
1-{2-[5-(4-chlorobenzoyl)-1,4-di-methyl-1H-pyrrol-2-ylmethyl]pyridin-5-yl}-3-methylurea
IUPAC
1-[6-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-3-pyridinyl]-3-methylurea

Names & synonyms

SCHEMBL7468211AVGKUTWUZQBNQE-UHFFFAOYSA-N1-{2-[5-(4-chlorobenzoyl)-1,4-di-methyl-1H-pyrrol-2-ylmethyl]pyridin-5-yl}-3-methylurea

Database identifiers

PubChem CID
53663950

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
76 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
28

Related reactions

3 records
New reaction record

Compound notes

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