N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide

C15H23FN4O — CID 110977953

IUPACN-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCCC(C)C)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H23FN4O/c1-11(2)8-9-18-15(17-3)19-10-14(21)20-13-6-4-12(16)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyILTNBJUHHHURDZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.98
Rot. Bonds6

About N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide

N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide (PubChem CID 110977953) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide
PubChem CID110977953
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC NameN-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCCC(C)C)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H23FN4O/c1-11(2)8-9-18-15(17-3)19-10-14(21)20-13-6-4-12(16)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyILTNBJUHHHURDZ-UHFFFAOYSA-N
XLogP1.98
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 110977956
2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]-N-phenylacetamide
CID 111942475
N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111404781
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110978082
2-[[N-[2-(4-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111197331
2-[(N-benzyl-N'-methylcarbamimidoyl)amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 110953235
2-[[N-[(2,5-difluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(4-fluorophenyl)acetamide
CID 111903449
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
N-(4-fluorophenyl)-2-[[N'-methyl-N-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111609927
N-(4-fluorophenyl)-2-[[N-[2-(3-methoxy-4-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111588875
N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
CID 111368761
2-[[N'-methyl-N-(5-methylhexan-2-yl)carbamimidoyl]amino]-N-phenylacetamide
CID 111203422

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide (CID 110977953) is N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide is C/N=C(\NCCC(C)C)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide?
The InChIKey is ILTNBJUHHHURDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-11(2)8-9-18-15(17-3)19-10-14(21)20-13-6-4-12(16)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,20,21)(H2,17,18,19).
What are the key properties of N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide has a molecular weight of 294.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide is sourced from PubChem (CID 110977953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).