5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide

C14H21ClN2O2 — CID 76944556

IUPAC5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCCCCOc1ccc(Cl)cc1C(N)=NO
InChIInChI=1S/C14H21ClN2O2/c1-2-3-4-5-6-9-19-13-8-7-11(15)10-12(13)14(16)17-18/h7-8,10,18H,2-6,9H2,1H3,(H2,16,17)
InChIKeyCCBDVKOFTAQLCZ-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.78
Rot. Bonds8

About 5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide

5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide (PubChem CID 76944556) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
PubChem CID76944556
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCCCCOc1ccc(Cl)cc1C(N)=NO
InChIInChI=1S/C14H21ClN2O2/c1-2-3-4-5-6-9-19-13-8-7-11(15)10-12(13)14(16)17-18/h7-8,10,18H,2-6,9H2,1H3,(H2,16,17)
InChIKeyCCBDVKOFTAQLCZ-UHFFFAOYSA-N
XLogP3.78
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.78
H-Bond Donors ≤ 52
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

2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77056964
5-chloro-2-decoxyaniline
CID 55187694
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057
5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide
CID 102982026
(NE)-N-[1-(5-chloro-2-propoxyphenyl)ethylidene]hydroxylamine
CID 82081262
4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933357
2-butoxy-5-chlorobenzohydrazide
CID 54795706
4-chloro-2-hexadecoxyphenol
CID 19014164
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide (CID 76944556) is 5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide is CCCCCCCOc1ccc(Cl)cc1C(N)=NO.
What is the InChIKey of 5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is CCBDVKOFTAQLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-2-3-4-5-6-9-19-13-8-7-11(15)10-12(13)14(16)17-18/h7-8,10,18H,2-6,9H2,1H3,(H2,16,17).
What are the key properties of 5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide?
5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 284.79 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76944556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).