5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

C14H22ClN3O2 — CID 77063921

IUPAC5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCOc1ccc(NCCCC(C)(C)C(N)=NO)cc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-14(2,13(16)18-19)7-4-8-17-10-5-6-12(20-3)11(15)9-10/h5-6,9,17,19H,4,7-8H2,1-3H3,(H2,16,18)
InChIKeyYFEHBROMNLYGHJ-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.31
Rot. Bonds7

About 5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063921) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063921
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCOc1ccc(NCCCC(C)(C)C(N)=NO)cc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-14(2,13(16)18-19)7-4-8-17-10-5-6-12(20-3)11(15)9-10/h5-6,9,17,19H,4,7-8H2,1-3H3,(H2,16,18)
InChIKeyYFEHBROMNLYGHJ-UHFFFAOYSA-N
XLogP3.31
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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'}

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Related Compounds

5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061870
N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
CID 77063802
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
4-(5-chloro-2-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061908
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063562
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149
4-[4-chloro-3-(trifluoromethyl)anilino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062121
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711821

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063921) is 5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is COc1ccc(NCCCC(C)(C)C(N)=NO)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is YFEHBROMNLYGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-14(2,13(16)18-19)7-4-8-17-10-5-6-12(20-3)11(15)9-10/h5-6,9,17,19H,4,7-8H2,1-3H3,(H2,16,18).
What are the key properties of 5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 299.80 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).