4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide

C14H20ClN3O2 — CID 114949633

IUPAC4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
SMILESCN(CC1(O)CCCC1)c1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C14H20ClN3O2/c1-18(9-14(19)6-2-3-7-14)12-8-10(15)4-5-11(12)13(16)17-20/h4-5,8,19-20H,2-3,6-7,9H2,1H3,(H2,16,17)
InChIKeyVFUDMBYTOXBFDQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.18
Rot. Bonds4

About 4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide

4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 114949633) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
PubChem CID114949633
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
SMILESCN(CC1(O)CCCC1)c1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C14H20ClN3O2/c1-18(9-14(19)6-2-3-7-14)12-8-10(15)4-5-11(12)13(16)17-20/h4-5,8,19-20H,2-3,6-7,9H2,1H3,(H2,16,17)
InChIKeyVFUDMBYTOXBFDQ-UHFFFAOYSA-N
XLogP2.18
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-bromo-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949643
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-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77002613
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 76985005
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949677
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile
CID 115868668
1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
CID 114950569
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880
2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76984935

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide (CID 114949633) is 4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide is CN(CC1(O)CCCC1)c1cc(Cl)ccc1/C(N)=N/O.
What is the InChIKey of 4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is VFUDMBYTOXBFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-18(9-14(19)6-2-3-7-14)12-8-10(15)4-5-11(12)13(16)17-20/h4-5,8,19-20H,2-3,6-7,9H2,1H3,(H2,16,17).
What are the key properties of 4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide?
4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 297.79 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 114949633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).