2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide

C23H26FN5O2 — CID 46293978

IUPAC2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
SMILESCCCn1cc(C/N=C(\NC(=O)c2ccccc2F)Nc2ccccc2OC)c(C)n1
InChIInChI=1S/C23H26FN5O2/c1-4-13-29-15-17(16(2)28-29)14-25-23(26-20-11-7-8-12-21(20)31-3)27-22(30)18-9-5-6-10-19(18)24/h5-12,15H,4,13-14H2,1-3H3,(H2,25,26,27,30)
InChIKeyAIHOFUXQPILRBP-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.15
Rot. Bonds7

About 2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide

2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide (PubChem CID 46293978) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
PubChem CID46293978
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
SMILESCCCn1cc(C/N=C(\NC(=O)c2ccccc2F)Nc2ccccc2OC)c(C)n1
InChIInChI=1S/C23H26FN5O2/c1-4-13-29-15-17(16(2)28-29)14-25-23(26-20-11-7-8-12-21(20)31-3)27-22(30)18-9-5-6-10-19(18)24/h5-12,15H,4,13-14H2,1-3H3,(H2,25,26,27,30)
InChIKeyAIHOFUXQPILRBP-UHFFFAOYSA-N
XLogP4.15
TPSA80.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide 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 2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide?
The IUPAC name of 2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide (CID 46293978) is 2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide?
The canonical SMILES for 2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide is CCCn1cc(C/N=C(\NC(=O)c2ccccc2F)Nc2ccccc2OC)c(C)n1.
What is the InChIKey of 2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide?
The InChIKey is AIHOFUXQPILRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-4-13-29-15-17(16(2)28-29)14-25-23(26-20-11-7-8-12-21(20)31-3)27-22(30)18-9-5-6-10-19(18)24/h5-12,15H,4,13-14H2,1-3H3,(H2,25,26,27,30).
What are the key properties of 2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide?
2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[N-(2-methoxyphenyl)-N'-[(3-methyl-1-propylpyrazol-4-yl)methyl]carbamimidoyl]benzamide is sourced from PubChem (CID 46293978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).