N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide

C21H21ClN2O — CID 10641756

IUPACN-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c2n(c3ccc(Cl)cc13)CCCc1ccccc1-2
InChIInChI=1S/C21H21ClN2O/c1-14(25)23-11-10-18-19-13-16(22)8-9-20(19)24-12-4-6-15-5-2-3-7-17(15)21(18)24/h2-3,5,7-9,13H,4,6,10-12H2,1H3,(H,23,25)
InChIKeyGIFNVPVMIDLSAU-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.59
Rot. Bonds3

About N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide

N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide (PubChem CID 10641756) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide
PubChem CID10641756
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC NameN-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c2n(c3ccc(Cl)cc13)CCCc1ccccc1-2
InChIInChI=1S/C21H21ClN2O/c1-14(25)23-11-10-18-19-13-16(22)8-9-20(19)24-12-4-6-15-5-2-3-7-17(15)21(18)24/h2-3,5,7-9,13H,4,6,10-12H2,1H3,(H,23,25)
InChIKeyGIFNVPVMIDLSAU-UHFFFAOYSA-N
XLogP4.59
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide with MolForge

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Related Compounds

9-Chloro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 383785
N-(4-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 16019089
N-(3-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 20899770
N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
CID 10611106
N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 384240
6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 2859649
3-Chloro-7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene
CID 9813866
5-Chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 21512050
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-phenylamino-piperidin-1-yl)-propan-1-one
CID 44333692
3-Amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 46224838
5-chloro-3'-methylspiro[1H-indole-3,1'-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole]-2-one
CID 46867385
5-chlorospiro[1H-indole-3,1'-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole]-2-one
CID 46867387

Frequently Asked Questions

What is the IUPAC name of N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide?
The IUPAC name of N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide (CID 10641756) is N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide is CC(=O)NCCc1c2n(c3ccc(Cl)cc13)CCCc1ccccc1-2.
What is the InChIKey of N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide?
The InChIKey is GIFNVPVMIDLSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-14(25)23-11-10-18-19-13-16(22)8-9-20(19)24-12-4-6-15-5-2-3-7-17(15)21(18)24/h2-3,5,7-9,13H,4,6,10-12H2,1H3,(H,23,25).
What are the key properties of N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide?
N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide has a molecular weight of 352.87 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide is sourced from PubChem (CID 10641756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).