N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide

C16H16FN3O — CID 123278221

IUPACN-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide
SMILESCc1ccc(F)cc1-c1ccccc1CC(=O)N=C(N)N
InChIInChI=1S/C16H16FN3O/c1-10-6-7-12(17)9-14(10)13-5-3-2-4-11(13)8-15(21)20-16(18)19/h2-7,9H,8H2,1H3,(H4,18,19,20,21)
InChIKeyGSJXOLNQIBVNRP-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.14
Rot. Bonds3

About N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide

N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide (PubChem CID 123278221) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide
PubChem CID123278221
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide
SMILESCc1ccc(F)cc1-c1ccccc1CC(=O)N=C(N)N
InChIInChI=1S/C16H16FN3O/c1-10-6-7-12(17)9-14(10)13-5-3-2-4-11(13)8-15(21)20-16(18)19/h2-7,9H,8H2,1H3,(H4,18,19,20,21)
InChIKeyGSJXOLNQIBVNRP-UHFFFAOYSA-N
XLogP2.14
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide?
The IUPAC name of N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide (CID 123278221) is N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide.
What is the SMILES notation for N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide?
The canonical SMILES for N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide is Cc1ccc(F)cc1-c1ccccc1CC(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide?
The InChIKey is GSJXOLNQIBVNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10-6-7-12(17)9-14(10)13-5-3-2-4-11(13)8-15(21)20-16(18)19/h2-7,9H,8H2,1H3,(H4,18,19,20,21).
What are the key properties of N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide?
N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide has a molecular weight of 285.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-[2-(5-fluoro-2-methylphenyl)phenyl]acetamide is sourced from PubChem (CID 123278221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).