N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide

C14H20FN3O2 — CID 76926629

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NCCc1ccccc1F)C(N)=NO
InChIInChI=1S/C14H20FN3O2/c1-2-5-11(13(16)18-20)14(19)17-9-8-10-6-3-4-7-12(10)15/h3-4,6-7,11,20H,2,5,8-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyZUWNSYUEENFBNS-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.65
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide

N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 76926629) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID76926629
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NCCc1ccccc1F)C(N)=NO
InChIInChI=1S/C14H20FN3O2/c1-2-5-11(13(16)18-20)14(19)17-9-8-10-6-3-4-7-12(10)15/h3-4,6-7,11,20H,2,5,8-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyZUWNSYUEENFBNS-UHFFFAOYSA-N
XLogP1.65
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925463
2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide
CID 76925665
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylphenyl)methyl]pentanamide
CID 76925362
N-[(3,4-difluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926592
N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924737
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106262399
2-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103010119
N-[2-(2-fluorophenyl)ethyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80591512
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-(4-chloro-2-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926139
2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106421839
N-[2-(3-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925067

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 76926629) is N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)NCCc1ccccc1F)C(N)=NO.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is ZUWNSYUEENFBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-2-5-11(13(16)18-20)14(19)17-9-8-10-6-3-4-7-12(10)15/h3-4,6-7,11,20H,2,5,8-9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 281.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 76926629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).