3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one

C16H12ClNO — CID 14147794

IUPAC3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2C=CC1c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO/c17-13-8-5-11(6-9-13)14-10-7-12-3-1-2-4-15(12)18-16(14)19/h1-10,14H,(H,18,19)
InChIKeyHBULAZJDRNCFBL-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.09
Rot. Bonds1

About 3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one

3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one (PubChem CID 14147794) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one
PubChem CID14147794
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2C=CC1c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO/c17-13-8-5-11(6-9-13)14-10-7-12-3-1-2-4-15(12)18-16(14)19/h1-10,14H,(H,18,19)
InChIKeyHBULAZJDRNCFBL-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one (CID 14147794) is 3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one is O=C1Nc2ccccc2C=CC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one?
The InChIKey is HBULAZJDRNCFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-13-8-5-11(6-9-13)14-10-7-12-3-1-2-4-15(12)18-16(14)19/h1-10,14H,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one?
3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one has a molecular weight of 269.73 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,3-dihydro-1-benzazepin-2-one is sourced from PubChem (CID 14147794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).