6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C22H23ClN2O2 — CID 113203865

IUPAC6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCc3[nH]c4ccc(Cl)cc4c3C2)c1
InChIInChI=1S/C22H23ClN2O2/c1-27-17-4-2-3-14(11-17)9-10-24-22(26)15-5-7-20-18(12-15)19-13-16(23)6-8-21(19)25-20/h2-4,6,8,11,13,15,25H,5,7,9-10,12H2,1H3,(H,24,26)
InChIKeyPVTKCRXDARTBOM-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.29
Rot. Bonds5

About 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203865) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203865
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCc3[nH]c4ccc(Cl)cc4c3C2)c1
InChIInChI=1S/C22H23ClN2O2/c1-27-17-4-2-3-14(11-17)9-10-24-22(26)15-5-7-20-18(12-15)19-13-16(23)6-8-21(19)25-20/h2-4,6,8,11,13,15,25H,5,7,9-10,12H2,1H3,(H,24,26)
InChIKeyPVTKCRXDARTBOM-UHFFFAOYSA-N
XLogP4.29
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.29
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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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203979
6-chloro-N-[2-(2-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203864
N-[2-(dimethylamino)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203942
6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203728
6-methoxy-N-(2-morpholin-4-ylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203943
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
N-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203990
N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612972
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
1-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 46259508
N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612967
6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203754

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203865) is 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is COc1cccc(CCNC(=O)C2CCc3[nH]c4ccc(Cl)cc4c3C2)c1.
What is the InChIKey of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is PVTKCRXDARTBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-27-17-4-2-3-14(11-17)9-10-24-22(26)15-5-7-20-18(12-15)19-13-16(23)6-8-21(19)25-20/h2-4,6,8,11,13,15,25H,5,7,9-10,12H2,1H3,(H,24,26).
What are the key properties of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 382.89 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).