2-Chloro-1-[4-(4-nitrophenyl)[1,4]diazepan-1-yl]ethanone

HCID 21982829
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Basic information

Standard SMILES
O=C(CCl)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIKey
DENGFGXUZFJCLO-UHFFFAOYSA-N
Molecular formula
C13H16ClN3O3
Average molar mass
297.74 g/mol

Names & identifiers

Preferred name
2-Chloro-1-[4-(4-nitrophenyl)[1,4]diazepan-1-yl]ethanone
IUPAC
2-chloro-1-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]ethanone

Names & synonyms

SCHEMBL5707911DENGFGXUZFJCLO-UHFFFAOYSA-N2-chloro-1-[4-(4-nitrophenyl)[1,4]diazepan-1-yl]ethanone

Database identifiers

PubChem CID
21982829

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
69.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Related reactions

1 records
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Compound notes

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