N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide

C28H24N4O — CID 142911045

IUPACN-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide
SMILES[H]/N=C(\N)c1ccc2c(c1)c1ccccc1n2CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N4O/c29-28(30)21-15-16-26-24(17-21)23-13-7-8-14-25(23)32(26)19-27(33)31(22-11-5-2-6-12-22)18-20-9-3-1-4-10-20/h1-17H,18-19H2,(H3,29,30)
InChIKeyFXFHDMWWUDVEBJ-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.31
Rot. Bonds6

About N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide

N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide (PubChem CID 142911045) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide
PubChem CID142911045
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC NameN-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide
SMILES[H]/N=C(\N)c1ccc2c(c1)c1ccccc1n2CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N4O/c29-28(30)21-15-16-26-24(17-21)23-13-7-8-14-25(23)32(26)19-27(33)31(22-11-5-2-6-12-22)18-20-9-3-1-4-10-20/h1-17H,18-19H2,(H3,29,30)
InChIKeyFXFHDMWWUDVEBJ-UHFFFAOYSA-N
XLogP5.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
CID 142911316
N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
CID 24603426
9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine
CID 142938358
1-benzyl-1-phenylguanidine
CID 9460
9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
3-[2-amino-3-(N-benzylanilino)-1-phenylpyrrolo[2,3-b]carbazol-9-yl]benzenecarboximidamide
CID 144646003
ethyl 3-(N-benzylanilino)-2-imino-3-oxopropanoate
CID 122227950
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686
1-[(3-carbamimidoylphenyl)methyl]-4-methylindole-2-carboxamide
CID 10946700
N-benzyl-3-(4-benzylcyclohexyl)-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]propanamide
CID 10121698
4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide
CID 143165721

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide (CID 142911045) is N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide is [H]/N=C(\N)c1ccc2c(c1)c1ccccc1n2CC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide?
The InChIKey is FXFHDMWWUDVEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c29-28(30)21-15-16-26-24(17-21)23-13-7-8-14-25(23)32(26)19-27(33)31(22-11-5-2-6-12-22)18-20-9-3-1-4-10-20/h1-17H,18-19H2,(H3,29,30).
What are the key properties of N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide?
N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide has a molecular weight of 432.53 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide is sourced from PubChem (CID 142911045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).