1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione

C15H16ClFN2O2 — CID 64962875

IUPAC1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
SMILESCC1(C2CC2)NC(=O)CCN(c2cccc(Cl)c2F)C1=O
InChIInChI=1S/C15H16ClFN2O2/c1-15(9-5-6-9)14(21)19(8-7-12(20)18-15)11-4-2-3-10(16)13(11)17/h2-4,9H,5-8H2,1H3,(H,18,20)
InChIKeyRMVSMYDZEGVDLE-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.50
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione

1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione (PubChem CID 64962875) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
PubChem CID64962875
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
SMILESCC1(C2CC2)NC(=O)CCN(c2cccc(Cl)c2F)C1=O
InChIInChI=1S/C15H16ClFN2O2/c1-15(9-5-6-9)14(21)19(8-7-12(20)18-15)11-4-2-3-10(16)13(11)17/h2-4,9H,5-8H2,1H3,(H,18,20)
InChIKeyRMVSMYDZEGVDLE-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 64961517
1-(2-chloro-5-methylphenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 107640186
3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64959920
1-(2-bromo-6-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 107604113
3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64965325
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 107580238
1-(2,3-difluorophenyl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64963934
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64964941
3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962108
3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957821
(5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95789139
1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64961466

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione (CID 64962875) is 1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione is CC1(C2CC2)NC(=O)CCN(c2cccc(Cl)c2F)C1=O.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione?
The InChIKey is RMVSMYDZEGVDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c1-15(9-5-6-9)14(21)19(8-7-12(20)18-15)11-4-2-3-10(16)13(11)17/h2-4,9H,5-8H2,1H3,(H,18,20).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione?
1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione has a molecular weight of 310.76 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64962875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).