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

C25H28FN3O2 — CID 57479604

IUPACN-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCO/N=C/c1ccc2c(c1)c1c(n2Cc2cccc(F)c2)CCC(NC(=O)C(C)C)C1
InChIInChI=1S/C25H28FN3O2/c1-16(2)25(30)28-20-8-10-24-22(13-20)21-12-17(14-27-31-3)7-9-23(21)29(24)15-18-5-4-6-19(26)11-18/h4-7,9,11-12,14,16,20H,8,10,13,15H2,1-3H3,(H,28,30)/b27-14+
InChIKeyBKBFGLPCBINLKO-MZJWZYIUSA-N
MW421.52 g/mol
LogP4.44
Rot. Bonds6

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

N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (PubChem CID 57479604) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
PubChem CID57479604
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC NameN-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCO/N=C/c1ccc2c(c1)c1c(n2Cc2cccc(F)c2)CCC(NC(=O)C(C)C)C1
InChIInChI=1S/C25H28FN3O2/c1-16(2)25(30)28-20-8-10-24-22(13-20)21-12-17(14-27-31-3)7-9-23(21)29(24)15-18-5-4-6-19(26)11-18/h4-7,9,11-12,14,16,20H,8,10,13,15H2,1-3H3,(H,28,30)/b27-14+
InChIKeyBKBFGLPCBINLKO-MZJWZYIUSA-N
XLogP4.44
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide 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-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (CID 57479604) is N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is CO/N=C/c1ccc2c(c1)c1c(n2Cc2cccc(F)c2)CCC(NC(=O)C(C)C)C1.
What is the InChIKey of N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The InChIKey is BKBFGLPCBINLKO-MZJWZYIUSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-16(2)25(30)28-20-8-10-24-22(13-20)21-12-17(14-27-31-3)7-9-23(21)29(24)15-18-5-4-6-19(26)11-18/h4-7,9,11-12,14,16,20H,8,10,13,15H2,1-3H3,(H,28,30)/b27-14+.
What are the key properties of N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide has a molecular weight of 421.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 57479604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).