[(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate

C19H14Cl2N2O2 — CID 135954526

IUPAC[(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate
SMILESO=C(O/N=C1/CCCc2[nH]c3ccccc3c21)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2N2O2/c20-12-6-3-7-13(21)18(12)19(24)25-23-16-10-4-9-15-17(16)11-5-1-2-8-14(11)22-15/h1-3,5-8,22H,4,9-10H2/b23-16-
InChIKeyPOXRCHWHPBJSBA-KQWNVCNZSA-N
MW373.24 g/mol
LogP5.37
Rot. Bonds2

About [(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate

[(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate (PubChem CID 135954526) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is [(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate
PubChem CID135954526
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name[(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate
SMILESO=C(O/N=C1/CCCc2[nH]c3ccccc3c21)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2N2O2/c20-12-6-3-7-13(21)18(12)19(24)25-23-16-10-4-9-15-17(16)11-5-1-2-8-14(11)22-15/h1-3,5-8,22H,4,9-10H2/b23-16-
InChIKeyPOXRCHWHPBJSBA-KQWNVCNZSA-N
XLogP5.37
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1,2,3,9-tetrahydrocarbazol-4-ylideneamino) 4-ethylbenzoate
CID 143388430
[(E)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 4-tert-butylbenzoate
CID 135448442
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate
CID 135400453
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate
CID 135478084
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate
CID 135478085
3,12-diazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),5,13,15,17-hexaene-5-carboxylic acid
CID 145116876
1-(3,4,5,6-tetrahydro-2H-azepino[3,2-b]indol-1-yl)ethanone
CID 24974790
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477053
molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713
4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide
CID 135849252
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408
N-(3-chloro-2-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203629

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate?
The IUPAC name of [(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate (CID 135954526) is [(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate.
What is the SMILES notation for [(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate?
The canonical SMILES for [(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate is O=C(O/N=C1/CCCc2[nH]c3ccccc3c21)c1c(Cl)cccc1Cl.
What is the InChIKey of [(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate?
The InChIKey is POXRCHWHPBJSBA-KQWNVCNZSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c20-12-6-3-7-13(21)18(12)19(24)25-23-16-10-4-9-15-17(16)11-5-1-2-8-14(11)22-15/h1-3,5-8,22H,4,9-10H2/b23-16-.
What are the key properties of [(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate?
[(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate has a molecular weight of 373.24 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2,3,9-tetrahydrocarbazol-4-ylideneamino] 2,6-dichlorobenzoate is sourced from PubChem (CID 135954526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).