N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide

C14H18Cl2N3O2+ — CID 4744533

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide
SMILESO=C(CC[NH+]1CCOCC1)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c15-12-2-1-11(13(16)9-12)10-17-18-14(20)3-4-19-5-7-21-8-6-19/h1-2,9-10H,3-8H2,(H,18,20)/p+1
InChIKeyGVFUQJKAAMCOJJ-UHFFFAOYSA-O
MW331.22 g/mol
LogP0.75
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide

N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide (PubChem CID 4744533) has the molecular formula C14H18Cl2N3O2+ and a molecular weight of 331.22 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide
PubChem CID4744533
Molecular FormulaC14H18Cl2N3O2+
Molecular Weight331.22 g/mol
Exact Mass330.08
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide
SMILESO=C(CC[NH+]1CCOCC1)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c15-12-2-1-11(13(16)9-12)10-17-18-14(20)3-4-19-5-7-21-8-6-19/h1-2,9-10H,3-8H2,(H,18,20)/p+1
InChIKeyGVFUQJKAAMCOJJ-UHFFFAOYSA-O
XLogP0.75
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 7452279
1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7934130
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6277415
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 6181128
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
2-(2,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 2634680
N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide
CID 1098758

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide (CID 4744533) is N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide is O=C(CC[NH+]1CCOCC1)NN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide?
The InChIKey is GVFUQJKAAMCOJJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-12-2-1-11(13(16)9-12)10-17-18-14(20)3-4-19-5-7-21-8-6-19/h1-2,9-10H,3-8H2,(H,18,20)/p+1.
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide?
N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide has a molecular weight of 331.22 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide is sourced from PubChem (CID 4744533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).