4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide

C24H28FN3O — CID 54470636

IUPAC4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide
SMILESCCCN(C)CC1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
InChIInChI=1S/C24H28FN3O/c1-3-12-28(2)15-16-4-10-22-20(13-16)21-14-19(9-11-23(21)27-22)26-24(29)17-5-7-18(25)8-6-17/h5-9,11,14,16,27H,3-4,10,12-13,15H2,1-2H3,(H,26,29)
InChIKeyXICHNJNDVFQZEK-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.01
Rot. Bonds6

About 4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide

4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide (PubChem CID 54470636) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide
PubChem CID54470636
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide
SMILESCCCN(C)CC1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
InChIInChI=1S/C24H28FN3O/c1-3-12-28(2)15-16-4-10-22-20(13-16)21-14-19(9-11-23(21)27-22)26-24(29)17-5-7-18(25)8-6-17/h5-9,11,14,16,27H,3-4,10,12-13,15H2,1-2H3,(H,26,29)
InChIKeyXICHNJNDVFQZEK-UHFFFAOYSA-N
XLogP5.01
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.01
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 4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide (CID 54470636) is 4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide is CCCN(C)CC1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1.
What is the InChIKey of 4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide?
The InChIKey is XICHNJNDVFQZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-3-12-28(2)15-16-4-10-22-20(13-16)21-14-19(9-11-23(21)27-22)26-24(29)17-5-7-18(25)8-6-17/h5-9,11,14,16,27H,3-4,10,12-13,15H2,1-2H3,(H,26,29).
What are the key properties of 4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide?
4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide has a molecular weight of 393.51 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide is sourced from PubChem (CID 54470636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).