N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide

C18H18FN3O3 — CID 3921496

IUPACN-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccccc1C=NNC(=O)CCC(=O)Nc1ccccc1F
InChIInChI=1S/C18H18FN3O3/c1-25-16-9-5-2-6-13(16)12-20-22-18(24)11-10-17(23)21-15-8-4-3-7-14(15)19/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyJDCCBIOSTKHZHK-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.70
Rot. Bonds7

About N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide

N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide (PubChem CID 3921496) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
PubChem CID3921496
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccccc1C=NNC(=O)CCC(=O)Nc1ccccc1F
InChIInChI=1S/C18H18FN3O3/c1-25-16-9-5-2-6-13(16)12-20-22-18(24)11-10-17(23)21-15-8-4-3-7-14(15)19/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyJDCCBIOSTKHZHK-UHFFFAOYSA-N
XLogP2.70
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878
N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 5230712
N-(2-fluorophenyl)-N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]butanediamide
CID 4019456
N-(3,4-dimethylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 4659144
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3539008
N'-[(2-butoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 5126962
N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide
CID 126271169
N-(2-fluorophenyl)-N'-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]butanediamide
CID 4561399
N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide
CID 3954724
N'-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 4026615

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide (CID 3921496) is N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide is COc1ccccc1C=NNC(=O)CCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide?
The InChIKey is JDCCBIOSTKHZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-25-16-9-5-2-6-13(16)12-20-22-18(24)11-10-17(23)21-15-8-4-3-7-14(15)19/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide?
N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide has a molecular weight of 343.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3921496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).