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

C14H22ClN3O2 — CID 77064018

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

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

5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77064018) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77064018
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCOc1ccc(Cl)c(NCCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H22ClN3O2/c1-14(2,13(16)18-19)7-4-8-17-12-9-10(20-3)5-6-11(12)15/h5-6,9,17,19H,4,7-8H2,1-3H3,(H2,16,18)
InChIKeyLHUGZXIUCAQASC-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': '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'}

Analyze 5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149
4-(2-bromo-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77069992
N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide
CID 77062215
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104727352
4-(2-chloro-5-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107528785
5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063921
5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064045
N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
CID 77063802
5-(4-bromo-2-chloroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063640
5-(2-chloro-5-methoxyanilino)pentanamide
CID 114281598
4-(5-chloro-2-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061908

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77064018) is 5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is COc1ccc(Cl)c(NCCCC(C)(C)C(N)=NO)c1.
What is the InChIKey of 5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is LHUGZXIUCAQASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-14(2,13(16)18-19)7-4-8-17-12-9-10(20-3)5-6-11(12)15/h5-6,9,17,19H,4,7-8H2,1-3H3,(H2,16,18).
What are the key properties of 5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(2-chloro-5-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-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77064018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).