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

C17H10ClF4NO — CID 149328975

IUPAC(3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one
SMILESO=C1Cc2ccc(Cl)cc2C(c2ccccc2F)=N[C@H]1C(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/t16-/m1/s1
InChIKeyYBYFVNNRRLVSDN-MRXNPFEDSA-N
MW355.72 g/mol
LogP4.37
Rot. Bonds1

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

(3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one (PubChem CID 149328975) has the molecular formula C17H10ClF4NO and a molecular weight of 355.72 g/mol. Its IUPAC name is (3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one.

Molecular Properties

Compound Name(3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one
PubChem CID149328975
Molecular FormulaC17H10ClF4NO
Molecular Weight355.72 g/mol
Exact Mass355.04
IUPAC Name(3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one
SMILESO=C1Cc2ccc(Cl)cc2C(c2ccccc2F)=N[C@H]1C(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/t16-/m1/s1
InChIKeyYBYFVNNRRLVSDN-MRXNPFEDSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 157156867
8-chloro-3-(2-hydroxypropan-2-yl)-1-phenyl-3,5-dihydro-2-benzazepine-4-thione
CID 159602122
7-chloro-1-(2-(18F)fluoro-2,2-difluoroethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
CID 10317038
2,2,2-trichloro-1-[8-chloro-6-(2-fluorophenyl)-1-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-3-yl]ethanone
CID 150317135
7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
CID 21265972
8-chloro-3-[(2-chloro-4-fluorophenyl)methyl]-1-(4-hydroxy-3-methylphenyl)-3,5-dihydro-2-benzazepin-4-one
CID 159555824
(3S)-8-chloro-1-cyclohexyl-3-propan-2-yl-3,5-dihydro-2-benzazepin-4-one
CID 159027118
8-chloro-6-(2-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][2]benzazepine
CID 21431654
methyl 8-chloro-1-(2-fluorophenyl)-5H-2-benzazepine-5-carboxylate
CID 13271774
5-chloro-2-(2-methoxyethoxy)-N-[(3R)-4-oxo-1-(2,4,6-trichlorophenyl)-3,5-dihydro-2-benzazepin-3-yl]benzamide
CID 58176426
potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride
CID 175366173
2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetic acid
CID 70572292

Frequently Asked Questions

What is the IUPAC name of (3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one?
The IUPAC name of (3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one (CID 149328975) is (3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one.
What is the SMILES notation for (3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one?
The canonical SMILES for (3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one is O=C1Cc2ccc(Cl)cc2C(c2ccccc2F)=N[C@H]1C(F)(F)F.
What is the InChIKey of (3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one?
The InChIKey is YBYFVNNRRLVSDN-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of (3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one?
(3R)-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 (3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 149328975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).