4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide

C14H20ClN3O — CID 107398964

IUPAC4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC1CCC1)c1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C14H20ClN3O/c1-2-18(9-10-4-3-5-10)13-8-11(15)6-7-12(13)14(16)17-19/h6-8,10,19H,2-5,9H2,1H3,(H2,16,17)
InChIKeyLKQYEESKZXOLKM-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.06
Rot. Bonds5

About 4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide

4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 107398964) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID107398964
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC1CCC1)c1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C14H20ClN3O/c1-2-18(9-10-4-3-5-10)13-8-11(15)6-7-12(13)14(16)17-19/h6-8,10,19H,2-5,9H2,1H3,(H2,16,17)
InChIKeyLKQYEESKZXOLKM-UHFFFAOYSA-N
XLogP3.06
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

N-(p-dimethylaminophenyl)-p-chlorobenzamidoxime
CID 129886864
2-Chloro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 55079465
2-chloro-N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 55152071
4-Chloro-2-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 55180033
4-Chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 55180993
2-[cyclobutylmethyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55234102
5-fluoro-N'-hydroxy-2-[methyl(2-methylbutyl)amino]benzenecarboximidamide
CID 55234706
2-Chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 62497501
2-Chloro-6-[methyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 62503134
4-Chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 63092507
4-Chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 63092840
4-Chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 63092841

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 107398964) is 4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide is CCN(CC1CCC1)c1cc(Cl)ccc1/C(N)=N/O.
What is the InChIKey of 4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is LKQYEESKZXOLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-18(9-10-4-3-5-10)13-8-11(15)6-7-12(13)14(16)17-19/h6-8,10,19H,2-5,9H2,1H3,(H2,16,17).
What are the key properties of 4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 281.79 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107398964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).