N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide

C14H12FN3O — CID 18945216

IUPACN-(diaminomethylidene)-3-(2-fluorophenyl)benzamide
SMILESNC(N)=NC(=O)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C14H12FN3O/c15-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(19)18-14(16)17/h1-8H,(H4,16,17,18,19)
InChIKeyGFUPCPRMVZEROM-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.91
Rot. Bonds2

About N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide

N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide (PubChem CID 18945216) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-(2-fluorophenyl)benzamide
PubChem CID18945216
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC NameN-(diaminomethylidene)-3-(2-fluorophenyl)benzamide
SMILESNC(N)=NC(=O)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C14H12FN3O/c15-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(19)18-14(16)17/h1-8H,(H4,16,17,18,19)
InChIKeyGFUPCPRMVZEROM-UHFFFAOYSA-N
XLogP1.91
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.91
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)-3-(2-fluorophenyl)benzamide?
The IUPAC name of N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide (CID 18945216) is N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide.
What is the SMILES notation for N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide?
The canonical SMILES for N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide is NC(N)=NC(=O)c1cccc(-c2ccccc2F)c1.
What is the InChIKey of N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide?
The InChIKey is GFUPCPRMVZEROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(19)18-14(16)17/h1-8H,(H4,16,17,18,19).
What are the key properties of N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide?
N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide has a molecular weight of 257.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide is sourced from PubChem (CID 18945216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).