N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide

C10H13FN4O2 — CID 71510694

IUPACN-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide
SMILESNC(N)=NCc1ccc(NC(=O)CF)c(O)c1
InChIInChI=1S/C10H13FN4O2/c11-4-9(17)15-7-2-1-6(3-8(7)16)5-14-10(12)13/h1-3,16H,4-5H2,(H,15,17)(H4,12,13,14)
InChIKeyODGBJIRVVPRORH-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.07
Rot. Bonds4

About N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide

N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide (PubChem CID 71510694) has the molecular formula C10H13FN4O2 and a molecular weight of 240.24 g/mol. Its IUPAC name is N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide.

Molecular Properties

Compound NameN-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide
PubChem CID71510694
Molecular FormulaC10H13FN4O2
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC NameN-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide
SMILESNC(N)=NCc1ccc(NC(=O)CF)c(O)c1
InChIInChI=1S/C10H13FN4O2/c11-4-9(17)15-7-2-1-6(3-8(7)16)5-14-10(12)13/h1-3,16H,4-5H2,(H,15,17)(H4,12,13,14)
InChIKeyODGBJIRVVPRORH-UHFFFAOYSA-N
XLogP0.07
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide?
The IUPAC name of N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide (CID 71510694) is N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide.
What is the SMILES notation for N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide?
The canonical SMILES for N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide is NC(N)=NCc1ccc(NC(=O)CF)c(O)c1.
What is the InChIKey of N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide?
The InChIKey is ODGBJIRVVPRORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2/c11-4-9(17)15-7-2-1-6(3-8(7)16)5-14-10(12)13/h1-3,16H,4-5H2,(H,15,17)(H4,12,13,14).
What are the key properties of N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide?
N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide has a molecular weight of 240.24 g/mol, XLogP of 0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(diaminomethylideneamino)methyl]-2-hydroxyphenyl]-2-fluoroacetamide is sourced from PubChem (CID 71510694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).