7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one

C11H10ClF3N2O2 — CID 59947975

IUPAC7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
SMILESCN1CC(O)(C(F)(F)F)c2cc(Cl)ccc2NC1=O
InChIInChI=1S/C11H10ClF3N2O2/c1-17-5-10(19,11(13,14)15)7-4-6(12)2-3-8(7)16-9(17)18/h2-4,19H,5H2,1H3,(H,16,18)
InChIKeyFOGQPFOZCGDYQJ-UHFFFAOYSA-N
MW294.66 g/mol
LogP2.57
Rot. Bonds

About 7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one

7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one (PubChem CID 59947975) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
PubChem CID59947975
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
SMILESCN1CC(O)(C(F)(F)F)c2cc(Cl)ccc2NC1=O
InChIInChI=1S/C11H10ClF3N2O2/c1-17-5-10(19,11(13,14)15)7-4-6(12)2-3-8(7)16-9(17)18/h2-4,19H,5H2,1H3,(H,16,18)
InChIKeyFOGQPFOZCGDYQJ-UHFFFAOYSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one (CID 59947975) is 7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one is CN1CC(O)(C(F)(F)F)c2cc(Cl)ccc2NC1=O.
What is the InChIKey of 7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one?
The InChIKey is FOGQPFOZCGDYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c1-17-5-10(19,11(13,14)15)7-4-6(12)2-3-8(7)16-9(17)18/h2-4,19H,5H2,1H3,(H,16,18).
What are the key properties of 7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one?
7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one has a molecular weight of 294.66 g/mol, XLogP of 2.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one is sourced from PubChem (CID 59947975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).