N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide

C14H18FN3O2 — CID 76930717

IUPACN-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(C(N)=NO)CCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c1-18(11-6-4-10(15)5-7-11)13(19)14(12(16)17-20)8-2-3-9-14/h4-7,20H,2-3,8-9H2,1H3,(H2,16,17)
InChIKeyBMIUEEHVDBRWBS-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.10
Rot. Bonds3

About N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide

N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide (PubChem CID 76930717) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
PubChem CID76930717
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(C(N)=NO)CCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c1-18(11-6-4-10(15)5-7-11)13(19)14(12(16)17-20)8-2-3-9-14/h4-7,20H,2-3,8-9H2,1H3,(H2,16,17)
InChIKeyBMIUEEHVDBRWBS-UHFFFAOYSA-N
XLogP2.10
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
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

1-amino-N-(4-fluorophenyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119292825
3-[(4-fluorophenyl)-methylcarbamoyl]oxetane-3-carboxylic acid
CID 115184938
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 81169719
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylphenyl)cyclohexane-1-carboxamide
CID 76930818
N-(4-fluorophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
CID 126781555
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80596819
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 80596960
N-[(4-fluorophenyl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76919837
N-(4-ethylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 80598056
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 76920249
N-(4-fluorophenyl)-N,3-dimethyl-2-oxopyrrolidine-3-carboxamide
CID 166249858
3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide
CID 76930705

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide (CID 76930717) is N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide is CN(C(=O)C1(C(N)=NO)CCCC1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is BMIUEEHVDBRWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-18(11-6-4-10(15)5-7-11)13(19)14(12(16)17-20)8-2-3-9-14/h4-7,20H,2-3,8-9H2,1H3,(H2,16,17).
What are the key properties of N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide?
N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 76930717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).