N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide

C18H18FN3O2 — CID 3954724

IUPACN-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide
SMILESCc1ccc(C=NNC(=O)CCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C18H18FN3O2/c1-13-6-8-14(9-7-13)12-20-22-18(24)11-10-17(23)21-16-5-3-2-4-15(16)19/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyGJYQLRIUKGJNJR-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.00
Rot. Bonds6

About N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide

N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide (PubChem CID 3954724) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide
PubChem CID3954724
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide
SMILESCc1ccc(C=NNC(=O)CCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C18H18FN3O2/c1-13-6-8-14(9-7-13)12-20-22-18(24)11-10-17(23)21-16-5-3-2-4-15(16)19/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyGJYQLRIUKGJNJR-UHFFFAOYSA-N
XLogP3.00
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.00
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-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 135704400
N'-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5078091
N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 4619789
N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 3985918
N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3539008
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 3921496
N'-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)butanediamide
CID 4309242
N-(2-fluorophenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832672
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
N-(benzylideneamino)-4-(4-methylanilino)butanamide
CID 3551130
N-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135684747

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide (CID 3954724) is N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide is Cc1ccc(C=NNC(=O)CCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide?
The InChIKey is GJYQLRIUKGJNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-13-6-8-14(9-7-13)12-20-22-18(24)11-10-17(23)21-16-5-3-2-4-15(16)19/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide?
N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide has a molecular weight of 327.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3954724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).