7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide

C12H13FN2O2 — CID 156640194

IUPAC7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide
SMILESCN1C(=O)CCCc2cc(F)c(C(N)=O)cc21
InChIInChI=1S/C12H13FN2O2/c1-15-10-6-8(12(14)17)9(13)5-7(10)3-2-4-11(15)16/h5-6H,2-4H2,1H3,(H2,14,17)
InChIKeyOFXVQXNZCAJGHP-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.22
Rot. Bonds1

About 7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide

7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide (PubChem CID 156640194) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide.

Molecular Properties

Compound Name7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide
PubChem CID156640194
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide
SMILESCN1C(=O)CCCc2cc(F)c(C(N)=O)cc21
InChIInChI=1S/C12H13FN2O2/c1-15-10-6-8(12(14)17)9(13)5-7(10)3-2-4-11(15)16/h5-6H,2-4H2,1H3,(H2,14,17)
InChIKeyOFXVQXNZCAJGHP-UHFFFAOYSA-N
XLogP1.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide?
The IUPAC name of 7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide (CID 156640194) is 7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide.
What is the SMILES notation for 7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide?
The canonical SMILES for 7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide is CN1C(=O)CCCc2cc(F)c(C(N)=O)cc21.
What is the InChIKey of 7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide?
The InChIKey is OFXVQXNZCAJGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-15-10-6-8(12(14)17)9(13)5-7(10)3-2-4-11(15)16/h5-6H,2-4H2,1H3,(H2,14,17).
What are the key properties of 7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide?
7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide has a molecular weight of 236.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide is sourced from PubChem (CID 156640194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).