8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one

C17H10ClF4NO — CID 149328976

IUPAC8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one
SMILESO=C1Cc2ccc(Cl)cc2C(c2ccccc2F)=NC1C(F)(F)F
InChIInChI=1S/C17H10ClF4NO/c18-10-6-5-9-7-14(24)16(17(20,21)22)23-15(12(9)8-10)11-3-1-2-4-13(11)19/h1-6,8,16H,7H2
InChIKeyYBYFVNNRRLVSDN-UHFFFAOYSA-N
MW355.72 g/mol
LogP4.37
Rot. Bonds1

About 8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one

8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one (PubChem CID 149328976) has the molecular formula C17H10ClF4NO and a molecular weight of 355.72 g/mol. Its IUPAC name is 8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one.

Molecular Properties

Compound Name8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one
PubChem CID149328976
Molecular FormulaC17H10ClF4NO
Molecular Weight355.72 g/mol
Exact Mass355.04
IUPAC Name8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one
SMILESO=C1Cc2ccc(Cl)cc2C(c2ccccc2F)=NC1C(F)(F)F
InChIInChI=1S/C17H10ClF4NO/c18-10-6-5-9-7-14(24)16(17(20,21)22)23-15(12(9)8-10)11-3-1-2-4-13(11)19/h1-6,8,16H,7H2
InChIKeyYBYFVNNRRLVSDN-UHFFFAOYSA-N
XLogP4.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.72
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one?
The IUPAC name of 8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one (CID 149328976) is 8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one.
What is the SMILES notation for 8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one?
The canonical SMILES for 8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one is O=C1Cc2ccc(Cl)cc2C(c2ccccc2F)=NC1C(F)(F)F.
What is the InChIKey of 8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one?
The InChIKey is YBYFVNNRRLVSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF4NO/c18-10-6-5-9-7-14(24)16(17(20,21)22)23-15(12(9)8-10)11-3-1-2-4-13(11)19/h1-6,8,16H,7H2.
What are the key properties of 8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one?
8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one has a molecular weight of 355.72 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 149328976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).