2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide

C20H26FIN4O — CID 110948847

IUPAC2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESC/N=C(/NCCNC(=O)Cc1ccc(F)cc1)NC(C)c1ccccc1.I
InChIInChI=1S/C20H25FN4O.HI/c1-15(17-6-4-3-5-7-17)25-20(22-2)24-13-12-23-19(26)14-16-8-10-18(21)11-9-16;/h3-11,15H,12-14H2,1-2H3,(H,23,26)(H2,22,24,25);1H
InChIKeySYUPSPFYDHXLJE-UHFFFAOYSA-N
MW484.36 g/mol
LogP3.03
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide

2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide (PubChem CID 110948847) has the molecular formula C20H26FIN4O and a molecular weight of 484.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
PubChem CID110948847
Molecular FormulaC20H26FIN4O
Molecular Weight484.36 g/mol
Exact Mass484.11
IUPAC Name2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESC/N=C(/NCCNC(=O)Cc1ccc(F)cc1)NC(C)c1ccccc1.I
InChIInChI=1S/C20H25FN4O.HI/c1-15(17-6-4-3-5-7-17)25-20(22-2)24-13-12-23-19(26)14-16-8-10-18(21)11-9-16;/h3-11,15H,12-14H2,1-2H3,(H,23,26)(H2,22,24,25);1H
InChIKeySYUPSPFYDHXLJE-UHFFFAOYSA-N
XLogP3.03
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.36
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949028
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide
CID 111135561
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110978082
2-cyclopentyl-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110949235
2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 110949645
2-chloro-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 110949128
2-(4-fluorophenyl)-N-[2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111682849
2-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N-[2-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111385169
2-(4-fluorophenyl)-N-[2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide
CID 111682850
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 111545893

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide (CID 110948847) is 2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide is C/N=C(/NCCNC(=O)Cc1ccc(F)cc1)NC(C)c1ccccc1.I.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The InChIKey is SYUPSPFYDHXLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O.HI/c1-15(17-6-4-3-5-7-17)25-20(22-2)24-13-12-23-19(26)14-16-8-10-18(21)11-9-16;/h3-11,15H,12-14H2,1-2H3,(H,23,26)(H2,22,24,25);1H.
What are the key properties of 2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide has a molecular weight of 484.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 110948847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).