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

C13H18FN3O2 — CID 76925463

IUPACN-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NCc1ccccc1F)C(N)=NO
InChIInChI=1S/C13H18FN3O2/c1-2-5-10(12(15)17-19)13(18)16-8-9-6-3-4-7-11(9)14/h3-4,6-7,10,19H,2,5,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyRFJNFOIOXJCMFB-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.60
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 76925463) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID76925463
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NCc1ccccc1F)C(N)=NO
InChIInChI=1S/C13H18FN3O2/c1-2-5-10(12(15)17-19)13(18)16-8-9-6-3-4-7-11(9)14/h3-4,6-7,10,19H,2,5,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyRFJNFOIOXJCMFB-UHFFFAOYSA-N
XLogP1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.60
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-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926629
N-[(3,4-difluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926592
2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 114186807
N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924737
2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide
CID 76925665
2-(N'-hydroxycarbamimidoyl)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 76975567
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide
CID 76927158
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76925666
N-(4-chloro-2-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926139
2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide
CID 76923919
N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926369

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 76925463) is N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)NCc1ccccc1F)C(N)=NO.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is RFJNFOIOXJCMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-5-10(12(15)17-19)13(18)16-8-9-6-3-4-7-11(9)14/h3-4,6-7,10,19H,2,5,8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 267.30 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 76925463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).