2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide

C23H20N4O — CID 18800618

IUPAC2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide
SMILES[H]/N=C(\N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C23H20N4O/c24-23(25)17-8-11-21-20(12-17)18(14-26-21)13-22(28)27-19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-12,14,26H,13H2,(H3,24,25)(H,27,28)
InChIKeyXKTICSUEDMDJBA-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.30
Rot. Bonds5

About 2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide

2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide (PubChem CID 18800618) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide
PubChem CID18800618
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide
SMILES[H]/N=C(\N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C23H20N4O/c24-23(25)17-8-11-21-20(12-17)18(14-26-21)13-22(28)27-19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-12,14,26H,13H2,(H3,24,25)(H,27,28)
InChIKeyXKTICSUEDMDJBA-UHFFFAOYSA-N
XLogP4.30
TPSA94.76 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide 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

N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide
CID 87951181
N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide
CID 59110661
N'-(4-carbamimidoylphenyl)-N-[(2-phenylphenyl)methyl]propanediamide
CID 59110671
5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 70068069
N-(4-acetylphenyl)-2-(5-methyl-1H-indol-3-yl)acetamide
CID 110861147
2-(5-phenyl-1H-indol-3-yl)acetamide
CID 67245791
2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide
CID 23646208
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 2449729
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide (CID 18800618) is 2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide is [H]/N=C(\N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of 2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide?
The InChIKey is XKTICSUEDMDJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c24-23(25)17-8-11-21-20(12-17)18(14-26-21)13-22(28)27-19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-12,14,26H,13H2,(H3,24,25)(H,27,28).
What are the key properties of 2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide?
2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 18800618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).