(Rac)-1-[(e)-3-(3,4-dichloro-phenyl)-acryloyl]-3-methyl-[1,4]diazepan-5-one

HCID 68435157
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Basic information

Standard SMILES
CC1CN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CCC(=O)N1
InChIKey
JBRLEOJFNXEIBU-HWKANZROSA-N
Molecular formula
C15H16Cl2N2O2
Average molar mass
327.2 g/mol

Names & identifiers

Preferred name
(Rac)-1-[(e)-3-(3,4-dichloro-phenyl)-acryloyl]-3-methyl-[1,4]diazepan-5-one
IUPAC
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-3-methyl-1,4-diazepan-5-one

Names & synonyms

SCHEMBL2904889JBRLEOJFNXEIBU-HWKANZROSA-N(rac)-1-[(e)-3-(3,4-dichloro-phenyl)-acryloyl]-3-methyl-[1,4]diazepan-5-one

Database identifiers

PubChem CID
68435157

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
21

Related reactions

1 records
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Compound notes

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