7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C17H15F3N2O — CID 86342434

IUPAC7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(Nc3cccc(C(F)(F)F)c3)ccc2N1
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)12-4-2-5-13(10-12)21-14-7-8-15-11(9-14)3-1-6-16(23)22-15/h2,4-5,7-10,21H,1,3,6H2,(H,22,23)
InChIKeyJEFSRAHXCRPPJJ-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.72
Rot. Bonds2

About 7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 86342434) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID86342434
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(Nc3cccc(C(F)(F)F)c3)ccc2N1
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)12-4-2-5-13(10-12)21-14-7-8-15-11(9-14)3-1-6-16(23)22-15/h2,4-5,7-10,21H,1,3,6H2,(H,22,23)
InChIKeyJEFSRAHXCRPPJJ-UHFFFAOYSA-N
XLogP4.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110768501
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27993658
2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride
CID 120591738
(2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide
CID 124546293
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20862437
6-[3-(trifluoromethyl)anilino]-3H-1,3-benzothiazol-2-one
CID 86342396
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-sulfonamide
CID 154878352
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 51200460
7-sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165333
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
7-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 95980194
N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 71449964

Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 86342434) is 7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCCc2cc(Nc3cccc(C(F)(F)F)c3)ccc2N1.
What is the InChIKey of 7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is JEFSRAHXCRPPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-17(19,20)12-4-2-5-13(10-12)21-14-7-8-15-11(9-14)3-1-6-16(23)22-15/h2,4-5,7-10,21H,1,3,6H2,(H,22,23).
What are the key properties of 7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 320.31 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 86342434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).