2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

C13H18ClN3O — CID 55154718

IUPAC2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(/C(N)=N/O)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H18ClN3O/c1-17(9-4-2-3-5-9)10-6-7-11(12(14)8-10)13(15)16-18/h6-9,18H,2-5H2,1H3,(H2,15,16)
InChIKeyXPYCQIDJNKYWAO-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.81
Rot. Bonds3

About 2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 55154718) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID55154718
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(/C(N)=N/O)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H18ClN3O/c1-17(9-4-2-3-5-9)10-6-7-11(12(14)8-10)13(15)16-18/h6-9,18H,2-5H2,1H3,(H2,15,16)
InChIKeyXPYCQIDJNKYWAO-UHFFFAOYSA-N
XLogP2.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.81
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

2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55152255
2-chloro-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552150
2-chloro-N'-hydroxy-4-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 55152824
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938790
2-chloro-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309715
2-chloro-N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76981406
2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981453
2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43614103
2-chloro-4-[cyclopropyl(thiophen-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76981427
5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136967271
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469
4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981473

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (CID 55154718) is 2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is CN(c1ccc(/C(N)=N/O)c(Cl)c1)C1CCCC1.
What is the InChIKey of 2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is XPYCQIDJNKYWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-17(9-4-2-3-5-9)10-6-7-11(12(14)8-10)13(15)16-18/h6-9,18H,2-5H2,1H3,(H2,15,16).
What are the key properties of 2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 267.76 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55154718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).