N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide

C13H15ClFN3O3 — CID 94847587

IUPACN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3O3/c1-21-6-5-16-12(19)7-13(20)18-17-8-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3,(H,16,19)(H,18,20)/b17-8-
InChIKeyGAVOIEHZXPRCQP-IUXPMGMMSA-N
MW315.73 g/mol
LogP1.08
Rot. Bonds7

About N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide

N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide (PubChem CID 94847587) has the molecular formula C13H15ClFN3O3 and a molecular weight of 315.73 g/mol. Its IUPAC name is N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide.

Molecular Properties

Compound NameN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
PubChem CID94847587
Molecular FormulaC13H15ClFN3O3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC NameN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3O3/c1-21-6-5-16-12(19)7-13(20)18-17-8-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3,(H,16,19)(H,18,20)/b17-8-
InChIKeyGAVOIEHZXPRCQP-IUXPMGMMSA-N
XLogP1.08
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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'-[(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 3130667
N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 4174903
N-[2-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 7976843
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methylbutanamide
CID 4157167
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2695109
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
methyl 3-[[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
CID 3121387
N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 3266836
2-(4-tert-butylphenoxy)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 5450012
N'-[[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 3131650

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
The IUPAC name of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide (CID 94847587) is N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide.
What is the SMILES notation for N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
The canonical SMILES for N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide is COCCNC(=O)CC(=O)N/N=C\c1c(F)cccc1Cl.
What is the InChIKey of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
The InChIKey is GAVOIEHZXPRCQP-IUXPMGMMSA-N. The full InChI is InChI=1S/C13H15ClFN3O3/c1-21-6-5-16-12(19)7-13(20)18-17-8-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3,(H,16,19)(H,18,20)/b17-8-.
What are the key properties of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide has a molecular weight of 315.73 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide is sourced from PubChem (CID 94847587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).