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

C18H18FN3O2 — CID 4619789

IUPACN'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2F)cc1
InChIInChI=1S/C18H18FN3O2/c1-13-6-8-15(9-7-13)21-17(23)10-11-18(24)22-20-12-14-4-2-3-5-16(14)19/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyVPABCFLAACAMEF-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.00
Rot. Bonds6

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

N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (PubChem CID 4619789) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
PubChem CID4619789
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2F)cc1
InChIInChI=1S/C18H18FN3O2/c1-13-6-8-15(9-7-13)21-17(23)10-11-18(24)22-20-12-14-4-2-3-5-16(14)19/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyVPABCFLAACAMEF-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-(4-bromophenyl)-N'-[(2-fluorophenyl)methylideneamino]butanediamide
CID 3450603
1-[(2-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 4980287
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide
CID 3954724
N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078
N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3289635
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553
N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 3656052
N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 4542662
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
N'-[(Z)-furan-2-ylmethylideneamino]-N-(4-methylphenyl)butanediamide
CID 6053974
N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 3921496

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The IUPAC name of N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide (CID 4619789) is N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The canonical SMILES for N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide is Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2F)cc1.
What is the InChIKey of N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
The InChIKey is VPABCFLAACAMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-13-6-8-15(9-7-13)21-17(23)10-11-18(24)22-20-12-14-4-2-3-5-16(14)19/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide?
N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)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)methylideneamino]-N-(4-methylphenyl)butanediamide is sourced from PubChem (CID 4619789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).