(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate

C22H17ClN2O3 — CID 10222152

IUPAC(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate
SMILESNC(=O)N1c2ccccc2CC(OC(=O)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C22H17ClN2O3/c23-17-10-4-2-8-15(17)21(26)28-20-13-14-7-1-5-11-18(14)25(22(24)27)19-12-6-3-9-16(19)20/h1-12,20H,13H2,(H2,24,27)
InChIKeyIGMDTBULADXOOS-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.01
Rot. Bonds2

About (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate

(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate (PubChem CID 10222152) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate.

Molecular Properties

Compound Name(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate
PubChem CID10222152
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate
SMILESNC(=O)N1c2ccccc2CC(OC(=O)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C22H17ClN2O3/c23-17-10-4-2-8-15(17)21(26)28-20-13-14-7-1-5-11-18(14)25(22(24)27)19-12-6-3-9-16(19)20/h1-12,20H,13H2,(H2,24,27)
InChIKeyIGMDTBULADXOOS-UHFFFAOYSA-N
XLogP5.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate
CID 10155679
(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 3-methoxybenzoate
CID 10221863
5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
CID 2847675
[(5R)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] (2S)-1-benzylpyrrolidine-2-carboxylate
CID 54596185
5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
CID 14306227
[(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl]methyl formate
CID 121244798
2-O-(benzylamino) 1-O-(11-cyano-5,6-dihydrobenzo[b][1]benzazepin-5-yl) benzene-1,2-dicarboxylate
CID 143232791
[2-[5-acetyloxy-11-(methylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-6-yl] 2-sulfanylacetate
CID 123615515
2-[[(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)oxy-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid
CID 174884502
propan-2-yl (2S)-2-[[(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)oxy-(methoxymethyl)phosphoryl]amino]propanoate
CID 130324433
2-O-[(5R)-11-cyano-5,6-dihydrobenzo[b][1]benzazepin-5-yl] 1-O-[[ethyl-[(1S)-1-phenylethyl]amino]methyl] benzene-1,2-dicarboxylate
CID 163750392
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477010

Frequently Asked Questions

What is the IUPAC name of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate?
The IUPAC name of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate (CID 10222152) is (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate.
What is the SMILES notation for (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate?
The canonical SMILES for (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate is NC(=O)N1c2ccccc2CC(OC(=O)c2ccccc2Cl)c2ccccc21.
What is the InChIKey of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate?
The InChIKey is IGMDTBULADXOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-17-10-4-2-8-15(17)21(26)28-20-13-14-7-1-5-11-18(14)25(22(24)27)19-12-6-3-9-16(19)20/h1-12,20H,13H2,(H2,24,27).
What are the key properties of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate?
(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate has a molecular weight of 392.84 g/mol, XLogP of 5.01, 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) 2-chlorobenzoate is sourced from PubChem (CID 10222152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).