(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate

C22H18N2O3 — CID 10133020

IUPAC(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate
SMILESNC(=O)N1c2ccccc2CC(OC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H18N2O3/c23-22(26)24-18-12-6-4-10-16(18)14-20(17-11-5-7-13-19(17)24)27-21(25)15-8-2-1-3-9-15/h1-13,20H,14H2,(H2,23,26)
InChIKeySENYQANOFJWAII-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.36
Rot. Bonds2

About (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate

(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate (PubChem CID 10133020) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate.

Molecular Properties

Compound Name(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate
PubChem CID10133020
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate
SMILESNC(=O)N1c2ccccc2CC(OC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H18N2O3/c23-22(26)24-18-12-6-4-10-16(18)14-20(17-11-5-7-13-19(17)24)27-21(25)15-8-2-1-3-9-15/h1-13,20H,14H2,(H2,23,26)
InChIKeySENYQANOFJWAII-UHFFFAOYSA-N
XLogP4.36
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate?
The IUPAC name of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate (CID 10133020) is (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate.
What is the SMILES notation for (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate?
The canonical SMILES for (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate is NC(=O)N1c2ccccc2CC(OC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate?
The InChIKey is SENYQANOFJWAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c23-22(26)24-18-12-6-4-10-16(18)14-20(17-11-5-7-13-19(17)24)27-21(25)15-8-2-1-3-9-15/h1-13,20H,14H2,(H2,23,26).
What are the key properties of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate?
(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate has a molecular weight of 358.40 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzoate is sourced from PubChem (CID 10133020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).