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

C22H23ClN2O2 — CID 113203979

IUPACN-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C(=O)NCCc1ccc(Cl)cc1)CC3
InChIInChI=1S/C22H23ClN2O2/c1-27-17-7-9-21-19(13-17)18-12-15(4-8-20(18)25-21)22(26)24-11-10-14-2-5-16(23)6-3-14/h2-3,5-7,9,13,15,25H,4,8,10-12H2,1H3,(H,24,26)
InChIKeyLLMUJVLHXBDVTF-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.29
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203979) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203979
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C(=O)NCCc1ccc(Cl)cc1)CC3
InChIInChI=1S/C22H23ClN2O2/c1-27-17-7-9-21-19(13-17)18-12-15(4-8-20(18)25-21)22(26)24-11-10-14-2-5-16(23)6-3-14/h2-3,5-7,9,13,15,25H,4,8,10-12H2,1H3,(H,24,26)
InChIKeyLLMUJVLHXBDVTF-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

6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203865
N-[2-(dimethylamino)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203942
6-chloro-N-[2-(2-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203864
6-methoxy-N-(2-morpholin-4-ylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203943
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203962
N-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203990
6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203728
N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612972
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
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203979) is N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is COc1ccc2[nH]c3c(c2c1)CC(C(=O)NCCc1ccc(Cl)cc1)CC3.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is LLMUJVLHXBDVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-27-17-7-9-21-19(13-17)18-12-15(4-8-20(18)25-21)22(26)24-11-10-14-2-5-16(23)6-3-14/h2-3,5-7,9,13,15,25H,4,8,10-12H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-methoxy-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 N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).