N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide

C15H18ClN7O2 — CID 134092932

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide
SMILESCC(C(=O)N/N=C/c1ccccc1Cl)n1nnc(N2CCOCC2)n1
InChIInChI=1S/C15H18ClN7O2/c1-11(14(24)18-17-10-12-4-2-3-5-13(12)16)23-20-15(19-21-23)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,18,24)/b17-10+
InChIKeyDPBABQZGWUQWFS-LICLKQGHSA-N
MW363.81 g/mol
LogP0.87
Rot. Bonds5

About N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide

N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide (PubChem CID 134092932) has the molecular formula C15H18ClN7O2 and a molecular weight of 363.81 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide
PubChem CID134092932
Molecular FormulaC15H18ClN7O2
Molecular Weight363.81 g/mol
Exact Mass363.12
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide
SMILESCC(C(=O)N/N=C/c1ccccc1Cl)n1nnc(N2CCOCC2)n1
InChIInChI=1S/C15H18ClN7O2/c1-11(14(24)18-17-10-12-4-2-3-5-13(12)16)23-20-15(19-21-23)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,18,24)/b17-10+
InChIKeyDPBABQZGWUQWFS-LICLKQGHSA-N
XLogP0.87
TPSA97.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide (CID 134092932) is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide is CC(C(=O)N/N=C/c1ccccc1Cl)n1nnc(N2CCOCC2)n1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide?
The InChIKey is DPBABQZGWUQWFS-LICLKQGHSA-N. The full InChI is InChI=1S/C15H18ClN7O2/c1-11(14(24)18-17-10-12-4-2-3-5-13(12)16)23-20-15(19-21-23)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,18,24)/b17-10+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide has a molecular weight of 363.81 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide is sourced from PubChem (CID 134092932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).