5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide

C11H13Cl2N3O3 — CID 62097780

IUPAC5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide
SMILES[H]/N=C(\N)CCCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H13Cl2N3O3/c12-8-5-7(16(17)18)6-9(13)11(8)19-4-2-1-3-10(14)15/h5-6H,1-4H2,(H3,14,15)
InChIKeySABLXTOQIXUSIQ-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.39
Rot. Bonds7

About 5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide

5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide (PubChem CID 62097780) has the molecular formula C11H13Cl2N3O3 and a molecular weight of 306.15 g/mol. Its IUPAC name is 5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide.

Molecular Properties

Compound Name5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide
PubChem CID62097780
Molecular FormulaC11H13Cl2N3O3
Molecular Weight306.15 g/mol
Exact Mass305.03
IUPAC Name5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide
SMILES[H]/N=C(\N)CCCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H13Cl2N3O3/c12-8-5-7(16(17)18)6-9(13)11(8)19-4-2-1-3-10(14)15/h5-6H,1-4H2,(H3,14,15)
InChIKeySABLXTOQIXUSIQ-UHFFFAOYSA-N
XLogP3.39
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.39
H-Bond Donors ≤ 52
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 76935361
5-(2,4-dimethyl-6-nitrophenoxy)pentanimidamide
CID 62099014
4-(2,6-dichloro-4-nitrophenoxy)butanehydrazide
CID 63569444
3-(3-bromo-5-nitrophenoxy)propanimidamide
CID 103588762
5-(4-methyl-2-nitrophenoxy)pentanimidamide
CID 54965595
5-(5-methyl-2-nitrophenoxy)pentanimidamide
CID 54966230
3-chloro-5-nitro-2-pentoxybenzoic acid
CID 107186793
2-amino-4-(2,6-dichloro-4-nitrophenoxy)-2-methylbutanenitrile
CID 62098810
3-(2,4-dimethyl-6-nitrophenoxy)propanimidamide
CID 62099013
1-cyclopentyl-2-(2,6-dichloro-4-nitrophenoxy)ethanone
CID 104752005
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078
methyl 4-(2,6-dichloro-4-nitrophenoxy)-2-(methylamino)butanoate
CID 63035666

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide?
The IUPAC name of 5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide (CID 62097780) is 5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide.
What is the SMILES notation for 5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide?
The canonical SMILES for 5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide is [H]/N=C(\N)CCCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide?
The InChIKey is SABLXTOQIXUSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O3/c12-8-5-7(16(17)18)6-9(13)11(8)19-4-2-1-3-10(14)15/h5-6H,1-4H2,(H3,14,15).
What are the key properties of 5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide?
5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide has a molecular weight of 306.15 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-4-nitrophenoxy)pentanimidamide is sourced from PubChem (CID 62097780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).