1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione

C14H15BrN2O2 — CID 64962398

IUPAC1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
SMILESO=C1CCN(c2ccc(Br)cc2)C(=O)C(C2CC2)N1
InChIInChI=1S/C14H15BrN2O2/c15-10-3-5-11(6-4-10)17-8-7-12(18)16-13(14(17)19)9-1-2-9/h3-6,9,13H,1-2,7-8H2,(H,16,18)
InChIKeyFVKNMTWSJYSKDZ-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.08
Rot. Bonds2

About 1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione

1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione (PubChem CID 64962398) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
PubChem CID64962398
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
SMILESO=C1CCN(c2ccc(Br)cc2)C(=O)C(C2CC2)N1
InChIInChI=1S/C14H15BrN2O2/c15-10-3-5-11(6-4-10)17-8-7-12(18)16-13(14(17)19)9-1-2-9/h3-6,9,13H,1-2,7-8H2,(H,16,18)
InChIKeyFVKNMTWSJYSKDZ-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-phenyl-1,4-diazepane-2,5-dione
CID 64958816
3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione
CID 64960791
1-(3-chloro-4-methylphenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64961674
3-cyclopropyl-1-(3-iodophenyl)-1,4-diazepane-2,5-dione
CID 64962833
1-(3-bromo-2-methylphenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 107640139
(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 107594340
1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 82859322
1-(4-bromophenyl)-3-methoxypyrrolidin-2-one
CID 138567201
3-cyclopropyl-1-(4-methoxy-2-methylphenyl)-1,4-diazepane-2,5-dione
CID 64970134
1-(3-bromo-4-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 104781831
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione (CID 64962398) is 1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione is O=C1CCN(c2ccc(Br)cc2)C(=O)C(C2CC2)N1.
What is the InChIKey of 1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione?
The InChIKey is FVKNMTWSJYSKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-10-3-5-11(6-4-10)17-8-7-12(18)16-13(14(17)19)9-1-2-9/h3-6,9,13H,1-2,7-8H2,(H,16,18).
What are the key properties of 1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione?
1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione has a molecular weight of 323.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64962398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).