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

C24H27FN2O2 — CID 68528189

IUPACN-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCOc1ccc2c(c1)c1c(n2Cc2cccc(F)c2)CCC(NC(=O)C(C)C)C1
InChIInChI=1S/C24H27FN2O2/c1-15(2)24(28)26-18-7-9-22-20(12-18)21-13-19(29-3)8-10-23(21)27(22)14-16-5-4-6-17(25)11-16/h4-6,8,10-11,13,15,18H,7,9,12,14H2,1-3H3,(H,26,28)
InChIKeyQEBXMOZVGBURNN-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.47
Rot. Bonds5

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

N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (PubChem CID 68528189) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
PubChem CID68528189
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC NameN-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCOc1ccc2c(c1)c1c(n2Cc2cccc(F)c2)CCC(NC(=O)C(C)C)C1
InChIInChI=1S/C24H27FN2O2/c1-15(2)24(28)26-18-7-9-22-20(12-18)21-13-19(29-3)8-10-23(21)27(22)14-16-5-4-6-17(25)11-16/h4-6,8,10-11,13,15,18H,7,9,12,14H2,1-3H3,(H,26,28)
InChIKeyQEBXMOZVGBURNN-UHFFFAOYSA-N
XLogP4.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (CID 68528189) is N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is COc1ccc2c(c1)c1c(n2Cc2cccc(F)c2)CCC(NC(=O)C(C)C)C1.
What is the InChIKey of N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The InChIKey is QEBXMOZVGBURNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-15(2)24(28)26-18-7-9-22-20(12-18)21-13-19(29-3)8-10-23(21)27(22)14-16-5-4-6-17(25)11-16/h4-6,8,10-11,13,15,18H,7,9,12,14H2,1-3H3,(H,26,28).
What are the key properties of N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide has a molecular weight of 394.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 68528189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).