(3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone

C22H23ClN2O — CID 18972114

IUPAC(3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
SMILESCCNCC1CCc2[nH]c3ccc(C(=O)c4cccc(Cl)c4)cc3c2C1
InChIInChI=1S/C22H23ClN2O/c1-2-24-13-14-6-8-20-18(10-14)19-12-16(7-9-21(19)25-20)22(26)15-4-3-5-17(23)11-15/h3-5,7,9,11-12,14,24-25H,2,6,8,10,13H2,1H3
InChIKeyONVARTBUEFIJHA-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.77
Rot. Bonds5

About (3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone

(3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone (PubChem CID 18972114) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is (3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
PubChem CID18972114
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name(3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
SMILESCCNCC1CCc2[nH]c3ccc(C(=O)c4cccc(Cl)c4)cc3c2C1
InChIInChI=1S/C22H23ClN2O/c1-2-24-13-14-6-8-20-18(10-14)19-12-16(7-9-21(19)25-20)22(26)15-4-3-5-17(23)11-15/h3-5,7,9,11-12,14,24-25H,2,6,8,10,13H2,1H3
InChIKeyONVARTBUEFIJHA-UHFFFAOYSA-N
XLogP4.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone (CID 18972114) is (3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone is CCNCC1CCc2[nH]c3ccc(C(=O)c4cccc(Cl)c4)cc3c2C1.
What is the InChIKey of (3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone?
The InChIKey is ONVARTBUEFIJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-2-24-13-14-6-8-20-18(10-14)19-12-16(7-9-21(19)25-20)22(26)15-4-3-5-17(23)11-15/h3-5,7,9,11-12,14,24-25H,2,6,8,10,13H2,1H3.
What are the key properties of (3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone?
(3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone has a molecular weight of 366.89 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone is sourced from PubChem (CID 18972114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).