6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C10H9ClN2O2 — CID 10130738

IUPAC6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2cccc(Cl)c2C1=O
InChIInChI=1S/C10H9ClN2O2/c1-13-5-8(14)12-7-4-2-3-6(11)9(7)10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKeySQTOIFUJFBCCIA-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.36
Rot. Bonds

About 6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 10130738) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID10130738
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2cccc(Cl)c2C1=O
InChIInChI=1S/C10H9ClN2O2/c1-13-5-8(14)12-7-4-2-3-6(11)9(7)10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKeySQTOIFUJFBCCIA-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 295303
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CID 3231443
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CID 658990
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CID 330746
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CID 558758
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CID 2224194
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CID 11665991
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 10130738) is 6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CN1CC(=O)Nc2cccc(Cl)c2C1=O.
What is the InChIKey of 6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is SQTOIFUJFBCCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-13-5-8(14)12-7-4-2-3-6(11)9(7)10(13)15/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of 6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 224.65 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 10130738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).