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

C12H16ClN3O — CID 55152255

IUPAC2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(CC1CC1)c1ccc(/C(N)=N/O)c(Cl)c1
InChIInChI=1S/C12H16ClN3O/c1-16(7-8-2-3-8)9-4-5-10(11(13)6-9)12(14)15-17/h4-6,8,17H,2-3,7H2,1H3,(H2,14,15)
InChIKeyLRQRZFXUOGIOQO-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.28
Rot. Bonds4

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

2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 55152255) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID55152255
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(CC1CC1)c1ccc(/C(N)=N/O)c(Cl)c1
InChIInChI=1S/C12H16ClN3O/c1-16(7-8-2-3-8)9-4-5-10(11(13)6-9)12(14)15-17/h4-6,8,17H,2-3,7H2,1H3,(H2,14,15)
InChIKeyLRQRZFXUOGIOQO-UHFFFAOYSA-N
XLogP2.28
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.28
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-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309715
2-chloro-N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76981406
2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55154718
2-chloro-N'-hydroxy-4-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 55152824
5-chloro-2-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944528
2-chloro-N'-hydroxy-4-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200030
4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77002613
2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236890
2-chloro-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552150
4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981473
2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide
CID 76997817
2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (CID 55152255) is 2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is CN(CC1CC1)c1ccc(/C(N)=N/O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is LRQRZFXUOGIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-16(7-8-2-3-8)9-4-5-10(11(13)6-9)12(14)15-17/h4-6,8,17H,2-3,7H2,1H3,(H2,14,15).
What are the key properties of 2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 253.73 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55152255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).