2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride

C13H17Cl3N2O2 — CID 162073903

IUPAC2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride
SMILESCl.ClC(=NOCCN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C13H16Cl2N2O2.ClH/c14-12-4-2-1-3-11(12)13(15)16-19-10-7-17-5-8-18-9-6-17;/h1-4H,5-10H2;1H
InChIKeyZBLMDVYHGMWOQD-UHFFFAOYSA-N
MW339.65 g/mol
LogP3.01
Rot. Bonds5

About 2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride

2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride (PubChem CID 162073903) has the molecular formula C13H17Cl3N2O2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride
PubChem CID162073903
Molecular FormulaC13H17Cl3N2O2
Molecular Weight339.65 g/mol
Exact Mass338.04
IUPAC Name2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride
SMILESCl.ClC(=NOCCN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C13H16Cl2N2O2.ClH/c14-12-4-2-1-3-11(12)13(15)16-19-10-7-17-5-8-18-9-6-17;/h1-4H,5-10H2;1H
InChIKeyZBLMDVYHGMWOQD-UHFFFAOYSA-N
XLogP3.01
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.65
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
(Z)-1-(furan-2-yl)-N-(2-morpholin-4-ylethoxy)ethanimine
CID 11558150
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide
CID 110625338
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
3-chloro-N-[4-[(E)-C-methyl-N-(2-morpholin-4-ylethoxy)carbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine
CID 53362811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride?
The IUPAC name of 2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride (CID 162073903) is 2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride.
What is the SMILES notation for 2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride?
The canonical SMILES for 2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride is Cl.ClC(=NOCCN1CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride?
The InChIKey is ZBLMDVYHGMWOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2.ClH/c14-12-4-2-1-3-11(12)13(15)16-19-10-7-17-5-8-18-9-6-17;/h1-4H,5-10H2;1H.
What are the key properties of 2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride?
2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride has a molecular weight of 339.65 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-morpholin-4-ylethoxy)benzenecarboximidoyl chloride;hydrochloride is sourced from PubChem (CID 162073903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).