ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate

C17H19ClN2O3 — CID 609394

IUPACethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C17H19ClN2O3/c1-2-23-15(21)9-19-17(22)12-5-3-4-11-13-8-10(18)6-7-14(13)20-16(11)12/h6-8,12,20H,2-5,9H2,1H3,(H,19,22)
InChIKeyOAGRRASZQUUOLW-UHFFFAOYSA-N
MW334.80 g/mol
LogP2.92
Rot. Bonds4

About ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate

ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate (PubChem CID 609394) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate
PubChem CID609394
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Nameethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C17H19ClN2O3/c1-2-23-15(21)9-19-17(22)12-5-3-4-11-13-8-10(18)6-7-14(13)20-16(11)12/h6-8,12,20H,2-5,9H2,1H3,(H,19,22)
InChIKeyOAGRRASZQUUOLW-UHFFFAOYSA-N
XLogP2.92
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

EX 527
CID 5113032
(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707029
5-Chloro-N-{2-[(2-hydroxyethyl)phenylamino]-2-oxoethyl}-1H-indole-2-carboxamide
CID 10237241
ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate
CID 4894334
ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate
CID 607870
(R)-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707032
6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 2859649
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
CID 3995234
2-[5-Chloro-2-(4-fluorophenyl)-1H-indol-3-YL]-N,N-dihexylacetamide
CID 10096284
Nalpha-(5-Chloro-1H-indole-2-carbonyl)-N-methyl-D-phenylalaninamide
CID 10498436
(2S)-[(5-chloro-1H-indole-2-carbonyl)-amino]-3-phenyl-propionic acid methyl ester
CID 10546217
5-Chloro-1H-indole-2-carboxylic acid ((S)-1-methylcarbamoyl-2-phenyl-ethyl)-amide
CID 10641957

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate (CID 609394) is ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate?
The InChIKey is OAGRRASZQUUOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-2-23-15(21)9-19-17(22)12-5-3-4-11-13-8-10(18)6-7-14(13)20-16(11)12/h6-8,12,20H,2-5,9H2,1H3,(H,19,22).
What are the key properties of ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate?
ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate has a molecular weight of 334.80 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)amino]acetate is sourced from PubChem (CID 609394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).