8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C27H32FN3O — CID 11339489

IUPAC8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1
InChIInChI=1S/C27H32FN3O/c28-20-12-9-18(10-13-20)15-16-29-27(32)19-11-14-24-23(17-19)22-7-4-8-25(26(22)31-24)30-21-5-2-1-3-6-21/h9-14,17,21,25,30-31H,1-8,15-16H2,(H,29,32)
InChIKeyXCYPAXWSFJNXBT-UHFFFAOYSA-N
MW433.57 g/mol
LogP5.58
Rot. Bonds6

About 8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 11339489) has the molecular formula C27H32FN3O and a molecular weight of 433.57 g/mol. Its IUPAC name is 8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID11339489
Molecular FormulaC27H32FN3O
Molecular Weight433.57 g/mol
Exact Mass433.25
IUPAC Name8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1
InChIInChI=1S/C27H32FN3O/c28-20-12-9-18(10-13-20)15-16-29-27(32)19-11-14-24-23(17-19)22-7-4-8-25(26(22)31-24)30-21-5-2-1-3-6-21/h9-14,17,21,25,30-31H,1-8,15-16H2,(H,29,32)
InChIKeyXCYPAXWSFJNXBT-UHFFFAOYSA-N
XLogP5.58
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 59014682
[8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone
CID 59014623
N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 59014607
(1S)-N-cyclohexyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 753921
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
CID 97426241
1-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(2-phenylethyl)urea
CID 125122227
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
N-[(4-fluorophenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-amine
CID 59014653
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide
CID 71828780

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of 8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 11339489) is 8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for 8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for 8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1.
What is the InChIKey of 8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is XCYPAXWSFJNXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O/c28-20-12-9-18(10-13-20)15-16-29-27(32)19-11-14-24-23(17-19)22-7-4-8-25(26(22)31-24)30-21-5-2-1-3-6-21/h9-14,17,21,25,30-31H,1-8,15-16H2,(H,29,32).
What are the key properties of 8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 5.58, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 11339489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).