N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide

C18H18FN3O3 — CID 3539008

IUPACN-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H18FN3O3/c1-25-14-6-4-5-13(11-14)12-20-22-18(24)10-9-17(23)21-16-8-3-2-7-15(16)19/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyYZNLISOFWIOBLS-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.70
Rot. Bonds7

About N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide

N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide (PubChem CID 3539008) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
PubChem CID3539008
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H18FN3O3/c1-25-14-6-4-5-13(11-14)12-20-22-18(24)10-9-17(23)21-16-8-3-2-7-15(16)19/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyYZNLISOFWIOBLS-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-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide
CID 6174024
1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea
CID 7933641
N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3894268
N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 4264592
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 5334959
N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide
CID 3954724
N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 3921496
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 135704400
N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide
CID 4022136
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide
CID 3421421
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide (CID 3539008) is N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide is COc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide?
The InChIKey is YZNLISOFWIOBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-25-14-6-4-5-13(11-14)12-20-22-18(24)10-9-17(23)21-16-8-3-2-7-15(16)19/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide?
N-(2-fluorophenyl)-N'-[(3-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'-[(3-methoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3539008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).