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

C14H18ClN3O — CID 77046069

IUPAC4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1N(CC1CC1)C1CC1
InChIInChI=1S/C14H18ClN3O/c15-10-3-6-12(14(16)17-19)13(7-10)18(11-4-5-11)8-9-1-2-9/h3,6-7,9,11,19H,1-2,4-5,8H2,(H2,16,17)
InChIKeyHFWAFDCIKBWQME-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.81
Rot. Bonds5

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

4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 77046069) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID77046069
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1N(CC1CC1)C1CC1
InChIInChI=1S/C14H18ClN3O/c15-10-3-6-12(14(16)17-19)13(7-10)18(11-4-5-11)8-9-1-2-9/h3,6-7,9,11,19H,1-2,4-5,8H2,(H2,16,17)
InChIKeyHFWAFDCIKBWQME-UHFFFAOYSA-N
XLogP2.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
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

4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77002613
5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892588
4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398964
5-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]benzenecarbothioamide
CID 64521354
5-chloro-2-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944528
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77022737
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307954
2-(bromomethyl)-4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)aniline
CID 107084049
5-chloro-2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944740
4-chloro-N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76984760
4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide
CID 76984850
4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106600096

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 77046069) is 4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(Cl)cc1N(CC1CC1)C1CC1.
What is the InChIKey of 4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is HFWAFDCIKBWQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-10-3-6-12(14(16)17-19)13(7-10)18(11-4-5-11)8-9-1-2-9/h3,6-7,9,11,19H,1-2,4-5,8H2,(H2,16,17).
What are the key properties of 4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 279.77 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77046069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).