4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C14H11ClN2O3 — CID 106688413

IUPAC4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)c2ccoc2Cl)Cc2ccccc2N1
InChIInChI=1S/C14H11ClN2O3/c15-13-10(5-6-20-13)14(19)17-7-9-3-1-2-4-11(9)16-12(18)8-17/h1-6H,7-8H2,(H,16,18)
InChIKeyGOLSUYHEICYRCA-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.53
Rot. Bonds1

About 4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 106688413) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID106688413
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)c2ccoc2Cl)Cc2ccccc2N1
InChIInChI=1S/C14H11ClN2O3/c15-13-10(5-6-20-13)14(19)17-7-9-3-1-2-4-11(9)16-12(18)8-17/h1-6H,7-8H2,(H,16,18)
InChIKeyGOLSUYHEICYRCA-UHFFFAOYSA-N
XLogP2.53
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloropyridine-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365429
4-(2,5-dimethylfuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365276
4-(3-chlorothiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 80641973
4-(4-methylthiophene-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 79808712
4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 138023947
4-(oxane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365324
4-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 166310592
1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one
CID 106686783
1-(2-chlorofuran-3-carbonyl)piperidin-3-one
CID 106685034
4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 81121274
(2-chlorofuran-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 106685283
4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 81331115

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 106688413) is 4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is O=C1CN(C(=O)c2ccoc2Cl)Cc2ccccc2N1.
What is the InChIKey of 4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is GOLSUYHEICYRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-13-10(5-6-20-13)14(19)17-7-9-3-1-2-4-11(9)16-12(18)8-17/h1-6H,7-8H2,(H,16,18).
What are the key properties of 4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 290.71 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 106688413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).