(2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

C17H17FN2O — CID 63154945

IUPAC(2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESNc1ccc(F)cc1C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C17H17FN2O/c18-14-7-8-16(19)15(10-14)17(21)20-9-3-6-12-4-1-2-5-13(12)11-20/h1-2,4-5,7-8,10H,3,6,9,11,19H2
InChIKeyFJZCZCKUHWUAKG-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.00
Rot. Bonds1

About (2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

(2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (PubChem CID 63154945) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
PubChem CID63154945
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESNc1ccc(F)cc1C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C17H17FN2O/c18-14-7-8-16(19)15(10-14)17(21)20-9-3-6-12-4-1-2-5-13(12)11-20/h1-2,4-5,7-8,10H,3,6,9,11,19H2
InChIKeyFJZCZCKUHWUAKG-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63155033
(2-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63153618
(2-amino-3-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115540672
(2-amino-5-fluorophenyl)-(1,4-diazepan-1-yl)methanone
CID 43535352
(3-bromo-4-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 103707366
3-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)benzonitrile
CID 157015896
(2-amino-6-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63658830
2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide
CID 119125116
(2-fluoro-6-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 104917485
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
(4-bromo-2-fluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24696867
(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115497823

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (CID 63154945) is (2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is Nc1ccc(F)cc1C(=O)N1CCCc2ccccc2C1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The InChIKey is FJZCZCKUHWUAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-7-8-16(19)15(10-14)17(21)20-9-3-6-12-4-1-2-5-13(12)11-20/h1-2,4-5,7-8,10H,3,6,9,11,19H2.
What are the key properties of (2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
(2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone has a molecular weight of 284.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is sourced from PubChem (CID 63154945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).