4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide

C14H17ClN4O2 — CID 70218084

IUPAC4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide
SMILESN/C(=N\CCCCO)NC(=O)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C14H17ClN4O2/c15-10-4-3-5-11-9(10)8-12(18-11)13(21)19-14(16)17-6-1-2-7-20/h3-5,8,18,20H,1-2,6-7H2,(H3,16,17,19,21)
InChIKeyIRQAQKWSAAOALA-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.64
Rot. Bonds5

About 4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide

4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide (PubChem CID 70218084) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide
PubChem CID70218084
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide
SMILESN/C(=N\CCCCO)NC(=O)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C14H17ClN4O2/c15-10-4-3-5-11-9(10)8-12(18-11)13(21)19-14(16)17-6-1-2-7-20/h3-5,8,18,20H,1-2,6-7H2,(H3,16,17,19,21)
InChIKeyIRQAQKWSAAOALA-UHFFFAOYSA-N
XLogP1.64
TPSA103.50 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide 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 4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide (CID 70218084) is 4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide is N/C(=N\CCCCO)NC(=O)c1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide?
The InChIKey is IRQAQKWSAAOALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-10-4-3-5-11-9(10)8-12(18-11)13(21)19-14(16)17-6-1-2-7-20/h3-5,8,18,20H,1-2,6-7H2,(H3,16,17,19,21).
What are the key properties of 4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide?
4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 1.64, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[N'-(4-hydroxybutyl)carbamimidoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70218084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).