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

C14H22ClN3O — CID 77064045

IUPAC5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1ccc(NCCCC(C)(C)C(N)=NO)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-10-5-6-12(11(15)9-10)17-8-4-7-14(2,3)13(16)18-19/h5-6,9,17,19H,4,7-8H2,1-3H3,(H2,16,18)
InChIKeyWOJWETFZDKIDRA-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.61
Rot. Bonds6

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

5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77064045) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77064045
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1ccc(NCCCC(C)(C)C(N)=NO)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-10-5-6-12(11(15)9-10)17-8-4-7-14(2,3)13(16)18-19/h5-6,9,17,19H,4,7-8H2,1-3H3,(H2,16,18)
InChIKeyWOJWETFZDKIDRA-UHFFFAOYSA-N
XLogP3.61
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.61
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-(4-bromo-2-chloroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063640
5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104727352
N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
CID 77063802
6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711517
5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 107635920
5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
4-(5-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062230
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
4-(3-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062335
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149
4-(2-chloro-5-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107528785

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77064045) is 5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is Cc1ccc(NCCCC(C)(C)C(N)=NO)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is WOJWETFZDKIDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10-5-6-12(11(15)9-10)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-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 283.80 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77064045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).