N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C23H25FN2O — CID 91126905

IUPACN-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C23H25FN2O/c1-15(2)26(14-16-6-4-3-5-7-16)23(27)17-8-10-21-19(12-17)20-13-18(24)9-11-22(20)25-21/h3-7,9,11,13,15,17,25H,8,10,12,14H2,1-2H3
InChIKeyHVAQQLLJUBXBSE-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.85
Rot. Bonds4

About N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 91126905) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID91126905
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC NameN-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C23H25FN2O/c1-15(2)26(14-16-6-4-3-5-7-16)23(27)17-8-10-21-19(12-17)20-13-18(24)9-11-22(20)25-21/h3-7,9,11,13,15,17,25H,8,10,12,14H2,1-2H3
InChIKeyHVAQQLLJUBXBSE-UHFFFAOYSA-N
XLogP4.85
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203728
6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203754
N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203560
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide
CID 141196596
N-(1,1-dioxothiolan-3-yl)-6-fluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203737
N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640295
6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 65332860
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203757
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096803

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 91126905) is N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is HVAQQLLJUBXBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-15(2)26(14-16-6-4-3-5-7-16)23(27)17-8-10-21-19(12-17)20-13-18(24)9-11-22(20)25-21/h3-7,9,11,13,15,17,25H,8,10,12,14H2,1-2H3.
What are the key properties of N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 364.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 91126905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).