7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C21H17ClN2O3 — CID 11962155

IUPAC7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1C(=O)C(Cc2ccc(-c3ccoc3)cc2)NC(=O)c2cc(Cl)ccc21
InChIInChI=1S/C21H17ClN2O3/c1-24-19-7-6-16(22)11-17(19)20(25)23-18(21(24)26)10-13-2-4-14(5-3-13)15-8-9-27-12-15/h2-9,11-12,18H,10H2,1H3,(H,23,25)
InChIKeyMONRZFOGEGMWDI-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.92
Rot. Bonds3

About 7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione

7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 11962155) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID11962155
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1C(=O)C(Cc2ccc(-c3ccoc3)cc2)NC(=O)c2cc(Cl)ccc21
InChIInChI=1S/C21H17ClN2O3/c1-24-19-7-6-16(22)11-17(19)20(25)23-18(21(24)26)10-13-2-4-14(5-3-13)15-8-9-27-12-15/h2-9,11-12,18H,10H2,1H3,(H,23,25)
InChIKeyMONRZFOGEGMWDI-UHFFFAOYSA-N
XLogP3.92
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 11962155) is 7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CN1C(=O)C(Cc2ccc(-c3ccoc3)cc2)NC(=O)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is MONRZFOGEGMWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-24-19-7-6-16(22)11-17(19)20(25)23-18(21(24)26)10-13-2-4-14(5-3-13)15-8-9-27-12-15/h2-9,11-12,18H,10H2,1H3,(H,23,25).
What are the key properties of 7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 380.83 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[4-(furan-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 11962155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).