8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one

C18H16ClNO — CID 71131573

IUPAC8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one
SMILESCC1N=C(c2ccccc2)c2cc(Cl)ccc2C(C)C1=O
InChIInChI=1S/C18H16ClNO/c1-11-15-9-8-14(19)10-16(15)17(20-12(2)18(11)21)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyLJYNFNHHXHYTQS-UHFFFAOYSA-N
MW297.78 g/mol
LogP4.25
Rot. Bonds1

About 8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one

8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one (PubChem CID 71131573) has the molecular formula C18H16ClNO and a molecular weight of 297.78 g/mol. Its IUPAC name is 8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one.

Molecular Properties

Compound Name8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one
PubChem CID71131573
Molecular FormulaC18H16ClNO
Molecular Weight297.78 g/mol
Exact Mass297.09
IUPAC Name8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one
SMILESCC1N=C(c2ccccc2)c2cc(Cl)ccc2C(C)C1=O
InChIInChI=1S/C18H16ClNO/c1-11-15-9-8-14(19)10-16(15)17(20-12(2)18(11)21)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyLJYNFNHHXHYTQS-UHFFFAOYSA-N
XLogP4.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-1-(2-fluorophenyl)-3,4-dihydro-5H-2-benzazepin-5-one
CID 12948279
8-chloro-1-(2-fluorophenyl)-3,4-dihydro-5H-2-benzazepin-5-one-2-oxide
CID 13094329
8-chloro-1-(2,6-difluorophenyl)-3H-benzo[c]azepin-5(4H)-one
CID 67505494
2-[N-[3-(5-chloro-2-methylphenyl)hept-3-enyl]-C-methylcarbonimidoyl]-6-[1-(3,4-difluorophenyl)ethyl]cyclohexan-1-one
CID 90727166
2-[N-[3-(5-chloro-2-methylphenyl)hex-3-enyl]-C-methylcarbonimidoyl]-6-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-one
CID 90834150
8-chloro-5-[2-(diethylamino)ethyl]-1-[(1Z)-2-fluorohepta-1,4-dienyl]-3,5-dihydro-2-benzazepin-4-one
CID 123467556
2-chloro-6-[4-[(E)-2-[1-[4-(trifluoromethyl)phenyl]prop-2-enylideneamino]but-2-enyl]cyclooctyl]-7,9-dihydrobenzo[7]annulen-8-one
CID 145092988
6-(4-chlorophenyl)-2-methyl-3,5-dihydro-2H-pyridin-4-one;propane;1,1,1-trifluoropropane
CID 145395327
(3S)-7-chloro-1-(2-fluorophenyl)-3-propan-2-yl-3,5-dihydro-2-benzazepin-4-one
CID 147151471
(3R)-8-chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one
CID 149328975
8-Chloro-1-(2-fluorophenyl)-3-(trifluoromethyl)-3,5-dihydro-2-benzazepin-4-one
CID 149328976
3-Amino-1-(3-chlorophenyl)-6-fluoro-3,5-dihydro-2-benzazepin-4-one
CID 157421073

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The IUPAC name of 8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one (CID 71131573) is 8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one.
What is the SMILES notation for 8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The canonical SMILES for 8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one is CC1N=C(c2ccccc2)c2cc(Cl)ccc2C(C)C1=O.
What is the InChIKey of 8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The InChIKey is LJYNFNHHXHYTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-11-15-9-8-14(19)10-16(15)17(20-12(2)18(11)21)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one has a molecular weight of 297.78 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 71131573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).