5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide

C11H15ClIN3O — CID 114260347

IUPAC5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide
SMILESN/C(CCCCNc1cc(I)ccc1Cl)=N/O
InChIInChI=1S/C11H15ClIN3O/c12-9-5-4-8(13)7-10(9)15-6-2-1-3-11(14)16-17/h4-5,7,15,17H,1-3,6H2,(H2,14,16)
InChIKeyNYUUHSQDDINBFZ-UHFFFAOYSA-N
MW367.62 g/mol
LogP3.27
Rot. Bonds6

About 5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide

5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide (PubChem CID 114260347) has the molecular formula C11H15ClIN3O and a molecular weight of 367.62 g/mol. Its IUPAC name is 5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide
PubChem CID114260347
Molecular FormulaC11H15ClIN3O
Molecular Weight367.62 g/mol
Exact Mass366.99
IUPAC Name5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide
SMILESN/C(CCCCNc1cc(I)ccc1Cl)=N/O
InChIInChI=1S/C11H15ClIN3O/c12-9-5-4-8(13)7-10(9)15-6-2-1-3-11(14)16-17/h4-5,7,15,17H,1-3,6H2,(H2,14,16)
InChIKeyNYUUHSQDDINBFZ-UHFFFAOYSA-N
XLogP3.27
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 53.27
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide
CID 107528793
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
4-(2-chloro-4-fluoroanilino)-N'-hydroxybutanimidamide
CID 77028777
5-(3,5-dichloroanilino)-N'-hydroxypentanimidamide
CID 77025830
5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
CID 77032478
5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide
CID 116784971
4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide
CID 79766667
5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77026696
5-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557
5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide
CID 103586293
4-(2-chloro-4-iodoanilino)butan-1-ol
CID 107606514
5-(2-chloro-5-methoxyanilino)pentanamide
CID 114281598

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide (CID 114260347) is 5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide is N/C(CCCCNc1cc(I)ccc1Cl)=N/O.
What is the InChIKey of 5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide?
The InChIKey is NYUUHSQDDINBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClIN3O/c12-9-5-4-8(13)7-10(9)15-6-2-1-3-11(14)16-17/h4-5,7,15,17H,1-3,6H2,(H2,14,16).
What are the key properties of 5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide?
5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide has a molecular weight of 367.62 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 114260347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).