N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride

C20H21Cl3FN3O3 — CID 171155004

IUPACN-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C20H20Cl2FN3O3.ClH/c21-16-9-14(11-24-25-19(27)12-26-5-7-28-8-6-26)10-17(22)20(16)29-13-15-3-1-2-4-18(15)23;/h1-4,9-11H,5-8,12-13H2,(H,25,27);1H
InChIKeyJTSJKSJGNJTMQN-UHFFFAOYSA-N
MW476.76 g/mol
LogP3.92
Rot. Bonds7

About N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride

N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 171155004) has the molecular formula C20H21Cl3FN3O3 and a molecular weight of 476.76 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride
PubChem CID171155004
Molecular FormulaC20H21Cl3FN3O3
Molecular Weight476.76 g/mol
Exact Mass475.06
IUPAC NameN-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C20H20Cl2FN3O3.ClH/c21-16-9-14(11-24-25-19(27)12-26-5-7-28-8-6-26)10-17(22)20(16)29-13-15-3-1-2-4-18(15)23;/h1-4,9-11H,5-8,12-13H2,(H,25,27);1H
InChIKeyJTSJKSJGNJTMQN-UHFFFAOYSA-N
XLogP3.92
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126006365
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 1231188
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126002300
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124602142
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 26368175
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126001303
N-[(E)-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126005659
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533896
N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6162667
N-[(E)-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533854
N-[(E)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6876349

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride?
The IUPAC name of N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride (CID 171155004) is N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride is Cl.O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1.
What is the InChIKey of N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride?
The InChIKey is JTSJKSJGNJTMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2FN3O3.ClH/c21-16-9-14(11-24-25-19(27)12-26-5-7-28-8-6-26)10-17(22)20(16)29-13-15-3-1-2-4-18(15)23;/h1-4,9-11H,5-8,12-13H2,(H,25,27);1H.
What are the key properties of N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride?
N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 476.76 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 171155004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).