5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

C14H22FN3O — CID 77063562

IUPAC5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1cc(NCCCC(C)(C)C(N)=NO)ccc1F
InChIInChI=1S/C14H22FN3O/c1-10-9-11(5-6-12(10)15)17-8-4-7-14(2,3)13(16)18-19/h5-6,9,17,19H,4,7-8H2,1-3H3,(H2,16,18)
InChIKeyZDUFCKXMNGZWIW-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.10
Rot. Bonds6

About 5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063562) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063562
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1cc(NCCCC(C)(C)C(N)=NO)ccc1F
InChIInChI=1S/C14H22FN3O/c1-10-9-11(5-6-12(10)15)17-8-4-7-14(2,3)13(16)18-19/h5-6,9,17,19H,4,7-8H2,1-3H3,(H2,16,18)
InChIKeyZDUFCKXMNGZWIW-UHFFFAOYSA-N
XLogP3.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.10
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-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711027
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
1-N-(4-fluoro-3-methylphenyl)-4-methylpentane-1,4-diamine
CID 115205113
4-(4-bromo-3-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062127
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107575376
N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide
CID 106710965
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928
5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063921
N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide
CID 106711134

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063562) is 5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is Cc1cc(NCCCC(C)(C)C(N)=NO)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is ZDUFCKXMNGZWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10-9-11(5-6-12(10)15)17-8-4-7-14(2,3)13(16)18-19/h5-6,9,17,19H,4,7-8H2,1-3H3,(H2,16,18).
What are the key properties of 5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 267.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).