4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide

C10H13ClN2O — CID 134102209

IUPAC4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide
SMILESCCN(C)/C(=N/O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-3-13(2)10(12-14)8-4-6-9(11)7-5-8/h4-7,14H,3H2,1-2H3/b12-10+
InChIKeyQVEXNNHBFOYWMO-ZRDIBKRKSA-N
MW212.68 g/mol
LogP2.43
Rot. Bonds2

About 4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide

4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide (PubChem CID 134102209) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide
PubChem CID134102209
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide
SMILESCCN(C)/C(=N/O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-3-13(2)10(12-14)8-4-6-9(11)7-5-8/h4-7,14H,3H2,1-2H3/b12-10+
InChIKeyQVEXNNHBFOYWMO-ZRDIBKRKSA-N
XLogP2.43
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-chloro-N-methylbenzamide
CID 6249988
1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79054221
N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide
CID 6020592
N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine
CID 178074638
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
(NE)-N-[1-(4-chlorophenyl)-2-(1,2,4-triazol-4-yl)ethylidene]hydroxylamine
CID 11776295
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide
CID 11310994
(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
CID 173159716
(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
CID 45126946
(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine
CID 5358741

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide?
The IUPAC name of 4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide (CID 134102209) is 4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide is CCN(C)/C(=N/O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide?
The InChIKey is QVEXNNHBFOYWMO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-13(2)10(12-14)8-4-6-9(11)7-5-8/h4-7,14H,3H2,1-2H3/b12-10+.
What are the key properties of 4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide?
4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide has a molecular weight of 212.68 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide is sourced from PubChem (CID 134102209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).