4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one

C20H21ClN2O — CID 90656154

IUPAC4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one
SMILESO=C1CC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2
InChIInChI=1S/C20H21ClN2O/c21-19-4-2-1-3-18(19)16-12-20(24)23(13-16)17-6-5-14-7-9-22-10-8-15(14)11-17/h1-6,11,16,22H,7-10,12-13H2
InChIKeySSVPEPVAUZOGFB-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.55
Rot. Bonds2

About 4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one

4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one (PubChem CID 90656154) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one
PubChem CID90656154
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one
SMILESO=C1CC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2
InChIInChI=1S/C20H21ClN2O/c21-19-4-2-1-3-18(19)16-12-20(24)23(13-16)17-6-5-14-7-9-22-10-8-15(14)11-17/h1-6,11,16,22H,7-10,12-13H2
InChIKeySSVPEPVAUZOGFB-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one?
The IUPAC name of 4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one (CID 90656154) is 4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one is O=C1CC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2.
What is the InChIKey of 4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one?
The InChIKey is SSVPEPVAUZOGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-19-4-2-1-3-18(19)16-12-20(24)23(13-16)17-6-5-14-7-9-22-10-8-15(14)11-17/h1-6,11,16,22H,7-10,12-13H2.
What are the key properties of 4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one?
4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one has a molecular weight of 340.85 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one is sourced from PubChem (CID 90656154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).