N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide

C23H22BrFN2O — CID 59161198

IUPACN-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCc2c(c3cc(Br)ccc3n2Cc2cccc(F)c2)C1)C1CC1
InChIInChI=1S/C23H22BrFN2O/c24-16-6-8-21-19(11-16)20-12-18(26-23(28)15-4-5-15)7-9-22(20)27(21)13-14-2-1-3-17(25)10-14/h1-3,6,8,10-11,15,18H,4-5,7,9,12-13H2,(H,26,28)
InChIKeyFJFGVVMCLPKLFO-UHFFFAOYSA-N
MW441.34 g/mol
LogP4.97
Rot. Bonds4

About N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide

N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide (PubChem CID 59161198) has the molecular formula C23H22BrFN2O and a molecular weight of 441.34 g/mol. Its IUPAC name is N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide
PubChem CID59161198
Molecular FormulaC23H22BrFN2O
Molecular Weight441.34 g/mol
Exact Mass440.09
IUPAC NameN-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCc2c(c3cc(Br)ccc3n2Cc2cccc(F)c2)C1)C1CC1
InChIInChI=1S/C23H22BrFN2O/c24-16-6-8-21-19(11-16)20-12-18(26-23(28)15-4-5-15)7-9-22(20)27(21)13-14-2-1-3-17(25)10-14/h1-3,6,8,10-11,15,18H,4-5,7,9,12-13H2,(H,26,28)
InChIKeyFJFGVVMCLPKLFO-UHFFFAOYSA-N
XLogP4.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.34
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide (CID 59161198) is N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide is O=C(NC1CCc2c(c3cc(Br)ccc3n2Cc2cccc(F)c2)C1)C1CC1.
What is the InChIKey of N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide?
The InChIKey is FJFGVVMCLPKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrFN2O/c24-16-6-8-21-19(11-16)20-12-18(26-23(28)15-4-5-15)7-9-22(20)27(21)13-14-2-1-3-17(25)10-14/h1-3,6,8,10-11,15,18H,4-5,7,9,12-13H2,(H,26,28).
What are the key properties of N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide?
N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide has a molecular weight of 441.34 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59161198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).