(3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one

C17H14ClNO — CID 157156867

IUPAC(3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one
SMILESC[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2CC1=O
InChIInChI=1S/C17H14ClNO/c1-11-16(20)9-13-7-8-14(18)10-15(13)17(19-11)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3/t11-/m1/s1
InChIKeyALXIHWXMYLPSEO-LLVKDONJSA-N
MW283.76 g/mol
LogP3.69
Rot. Bonds1

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

(3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one (PubChem CID 157156867) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is (3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one.

Molecular Properties

Compound Name(3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one
PubChem CID157156867
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name(3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one
SMILESC[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2CC1=O
InChIInChI=1S/C17H14ClNO/c1-11-16(20)9-13-7-8-14(18)10-15(13)17(19-11)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3/t11-/m1/s1
InChIKeyALXIHWXMYLPSEO-LLVKDONJSA-N
XLogP3.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 71131573
(3S)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 3032960
8-chloro-3-(2-hydroxypropan-2-yl)-1-phenyl-3,5-dihydro-2-benzazepine-4-thione
CID 159602122
(3S)-8-chloro-3-(2-methylsulfanylethyl)-1-phenyl-3,5-dihydro-2-benzazepine-4-thione
CID 159722499
(3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one
CID 149328975
3-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 148842700
7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one
CID 101265123
8-chloro-3-[(3,4-diethylphenyl)methyl]-1-(4-hydroxyphenyl)-3,5-dihydro-2-benzazepin-4-one
CID 157336464
8-chloro-6-(4-hydroxyphenyl)-4-methyl-2,4-dihydro-1H-1,5-benzodiazocin-3-one;1-methyl-2-(3-methylphenyl)benzene
CID 143199565
7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen
CID 159104531
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
3-[(3S)-3-tert-butyl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid
CID 169181156

Frequently Asked Questions

What is the IUPAC name of (3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The IUPAC name of (3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one (CID 157156867) is (3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one.
What is the SMILES notation for (3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The canonical SMILES for (3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one is C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2CC1=O.
What is the InChIKey of (3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The InChIKey is ALXIHWXMYLPSEO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-16(20)9-13-7-8-14(18)10-15(13)17(19-11)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
(3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one has a molecular weight of 283.76 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 157156867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).