5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide

C12H17F2N3O — CID 103586293

IUPAC5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide
SMILESCc1cc(F)c(NCCCC/C(N)=N/O)cc1F
InChIInChI=1S/C12H17F2N3O/c1-8-6-10(14)11(7-9(8)13)16-5-3-2-4-12(15)17-18/h6-7,16,18H,2-5H2,1H3,(H2,15,17)
InChIKeyYXXRKLRWXVNSIT-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.60
Rot. Bonds6

About 5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide

5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide (PubChem CID 103586293) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide
PubChem CID103586293
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide
SMILESCc1cc(F)c(NCCCC/C(N)=N/O)cc1F
InChIInChI=1S/C12H17F2N3O/c1-8-6-10(14)11(7-9(8)13)16-5-3-2-4-12(15)17-18/h6-7,16,18H,2-5H2,1H3,(H2,15,17)
InChIKeyYXXRKLRWXVNSIT-UHFFFAOYSA-N
XLogP2.60
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557
5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77026696
3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide
CID 107613140
3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide
CID 77029578
2,5-difluoro-4-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103585178
methyl 4-(2,5-difluoro-4-methylanilino)butanoate
CID 103585526
N'-hydroxy-4-(2-methylanilino)butanimidamide
CID 77025856
4-(4-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77026809
N'-hydroxy-5-(3-methylanilino)pentanimidamide
CID 77025899
2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline
CID 103585744
N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide
CID 106711134
5-(3,5-dichloroanilino)-N'-hydroxypentanimidamide
CID 77025830

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide (CID 103586293) is 5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide is Cc1cc(F)c(NCCCC/C(N)=N/O)cc1F.
What is the InChIKey of 5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide?
The InChIKey is YXXRKLRWXVNSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-8-6-10(14)11(7-9(8)13)16-5-3-2-4-12(15)17-18/h6-7,16,18H,2-5H2,1H3,(H2,15,17).
What are the key properties of 5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide?
5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide has a molecular weight of 257.28 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 103586293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).