2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide

C13H14Cl3N3O2 — CID 126007489

IUPAC2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H14Cl3N3O2/c14-10-5-9(13(16)11(15)6-10)7-17-18-12(20)8-19-1-3-21-4-2-19/h5-7H,1-4,8H2,(H,18,20)/b17-7+
InChIKeyNNPVQVZUIJQDHM-REZTVBANSA-N
MW350.63 g/mol
LogP2.43
Rot. Bonds4

About 2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide

2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide (PubChem CID 126007489) has the molecular formula C13H14Cl3N3O2 and a molecular weight of 350.63 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide
PubChem CID126007489
Molecular FormulaC13H14Cl3N3O2
Molecular Weight350.63 g/mol
Exact Mass349.02
IUPAC Name2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H14Cl3N3O2/c14-10-5-9(13(16)11(15)6-10)7-17-18-12(20)8-19-1-3-21-4-2-19/h5-7H,1-4,8H2,(H,18,20)/b17-7+
InChIKeyNNPVQVZUIJQDHM-REZTVBANSA-N
XLogP2.43
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.63
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137077970
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6877310
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126002300
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 6152553
N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137121122
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 761994
2-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426552
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 21212526
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5369240

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide (CID 126007489) is 2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide is O=C(CN1CCOCC1)N/N=C/c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide?
The InChIKey is NNPVQVZUIJQDHM-REZTVBANSA-N. The full InChI is InChI=1S/C13H14Cl3N3O2/c14-10-5-9(13(16)11(15)6-10)7-17-18-12(20)8-19-1-3-21-4-2-19/h5-7H,1-4,8H2,(H,18,20)/b17-7+.
What are the key properties of 2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide?
2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide has a molecular weight of 350.63 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 126007489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).