3-[1-Benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid

HCID 59190865
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Basic information

Standard SMILES
N#Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2cccc(C(=O)O)c2)cc1
InChIKey
MGMRTRBUQHEHNS-UHFFFAOYSA-N
Molecular formula
C23H19N3O3
Average molar mass
385.4 g/mol
Monoisotopic mass
385.14264148

Names & identifiers

Preferred name
3-[1-Benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid
IUPAC
3-[[benzyl-[(4-cyanophenyl)carbamoyl]amino]methyl]benzoic acid

Names & synonyms

SCHEMBL308077MGMRTRBUQHEHNS-UHFFFAOYSA-N3-[1-benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid

Database identifiers

PubChem CID
59190865

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
93.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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