5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide

C18H19FN2O — CID 66965202

IUPAC5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
SMILESCN1CCC(c2ccccc2F)c2ccc(C(N)=O)cc2C1
InChIInChI=1S/C18H19FN2O/c1-21-9-8-15(16-4-2-3-5-17(16)19)14-7-6-12(18(20)22)10-13(14)11-21/h2-7,10,15H,8-9,11H2,1H3,(H2,20,22)
InChIKeyMRHRCCRBWCCLDF-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.89
Rot. Bonds2

About 5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide

5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide (PubChem CID 66965202) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
PubChem CID66965202
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
SMILESCN1CCC(c2ccccc2F)c2ccc(C(N)=O)cc2C1
InChIInChI=1S/C18H19FN2O/c1-21-9-8-15(16-4-2-3-5-17(16)19)14-7-6-12(18(20)22)10-13(14)11-21/h2-7,10,15H,8-9,11H2,1H3,(H2,20,22)
InChIKeyMRHRCCRBWCCLDF-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide (CID 66965202) is 5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide is CN1CCC(c2ccccc2F)c2ccc(C(N)=O)cc2C1.
What is the InChIKey of 5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide?
The InChIKey is MRHRCCRBWCCLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-21-9-8-15(16-4-2-3-5-17(16)19)14-7-6-12(18(20)22)10-13(14)11-21/h2-7,10,15H,8-9,11H2,1H3,(H2,20,22).
What are the key properties of 5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide?
5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide is sourced from PubChem (CID 66965202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).