5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide

C19H16ClN3O2 — CID 10043666

IUPAC5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1CCc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H16ClN3O2/c20-13-6-8-15-12(9-13)10-17(21-15)19(25)23-16-7-5-11-3-1-2-4-14(11)22-18(16)24/h1-4,6,8-10,16,21H,5,7H2,(H,22,24)(H,23,25)
InChIKeyVKSJJHHQYWOARV-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.50
Rot. Bonds2

About 5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide

5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide (PubChem CID 10043666) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide
PubChem CID10043666
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1CCc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H16ClN3O2/c20-13-6-8-15-12(9-13)10-17(21-15)19(25)23-16-7-5-11-3-1-2-4-14(11)22-18(16)24/h1-4,6,8-10,16,21H,5,7H2,(H,22,24)(H,23,25)
InChIKeyVKSJJHHQYWOARV-UHFFFAOYSA-N
XLogP3.50
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide (CID 10043666) is 5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide is O=C(NC1CCc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide?
The InChIKey is VKSJJHHQYWOARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-13-6-8-15-12(9-13)10-17(21-15)19(25)23-16-7-5-11-3-1-2-4-14(11)22-18(16)24/h1-4,6,8-10,16,21H,5,7H2,(H,22,24)(H,23,25).
What are the key properties of 5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide?
5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 10043666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).