7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C17H17FN2O — CID 69220426

IUPAC7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCCc2cc(F)ccc21
InChIInChI=1S/C17H17FN2O/c18-14-9-10-16-13(12-14)6-4-5-11-20(16)17(21)19-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,19,21)
InChIKeyWXZREETYZFTLJM-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.20
Rot. Bonds1

About 7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 69220426) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID69220426
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCCc2cc(F)ccc21
InChIInChI=1S/C17H17FN2O/c18-14-9-10-16-13(12-14)6-4-5-11-20(16)17(21)19-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,19,21)
InChIKeyWXZREETYZFTLJM-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 10214790
7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222522
7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 23032395
6-fluoro-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 110635094
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943972
N-cyclopentyl-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747475
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221292
N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943913
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of 7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 69220426) is 7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for 7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for 7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(Nc1ccccc1)N1CCCCc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is WXZREETYZFTLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-9-10-16-13(12-14)6-4-5-11-20(16)17(21)19-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,19,21).
What are the key properties of 7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 69220426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).