5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide

C12H18FN3O2 — CID 114263134

IUPAC5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide
SMILESCOc1cc(F)cc(NCCCC/C(N)=N/O)c1
InChIInChI=1S/C12H18FN3O2/c1-18-11-7-9(13)6-10(8-11)15-5-3-2-4-12(14)16-17/h6-8,15,17H,2-5H2,1H3,(H2,14,16)
InChIKeyBKDNFLLGJNBYAB-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.16
Rot. Bonds7

About 5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide

5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide (PubChem CID 114263134) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide
PubChem CID114263134
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide
SMILESCOc1cc(F)cc(NCCCC/C(N)=N/O)c1
InChIInChI=1S/C12H18FN3O2/c1-18-11-7-9(13)6-10(8-11)15-5-3-2-4-12(14)16-17/h6-8,15,17H,2-5H2,1H3,(H2,14,16)
InChIKeyBKDNFLLGJNBYAB-UHFFFAOYSA-N
XLogP2.16
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromo-5-methoxyanilino)-N'-hydroxypentanimidamide
CID 82867428
5-(3,5-dichloroanilino)-N'-hydroxypentanimidamide
CID 77025830
N'-hydroxy-5-(3-methylanilino)pentanimidamide
CID 77025899
5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide
CID 103586293
3,5-dimethoxy-N-pentylaniline
CID 28575532
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide
CID 77029852
4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide
CID 107584120
3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide
CID 114262949
N'-hydroxy-4-(4-methylanilino)butanimidamide
CID 77025485
4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide
CID 77025709
4-(2-chloro-4-fluoroanilino)-N'-hydroxybutanimidamide
CID 77028777

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide (CID 114263134) is 5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide is COc1cc(F)cc(NCCCC/C(N)=N/O)c1.
What is the InChIKey of 5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide?
The InChIKey is BKDNFLLGJNBYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-18-11-7-9(13)6-10(8-11)15-5-3-2-4-12(14)16-17/h6-8,15,17H,2-5H2,1H3,(H2,14,16).
What are the key properties of 5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide?
5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide has a molecular weight of 255.29 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 114263134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).