3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide

C15H10F2N4O2 — CID 147907702

IUPAC3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide
SMILESN#Cc1ccc(O)c(C(=O)N=C(N)N)c1-c1cccc(F)c1F
InChIInChI=1S/C15H10F2N4O2/c16-9-3-1-2-8(13(9)17)11-7(6-18)4-5-10(22)12(11)14(23)21-15(19)20/h1-5,22H,(H4,19,20,21,23)
InChIKeyIFMYKPOUIQGBGL-UHFFFAOYSA-N
MW316.27 g/mol
LogP1.62
Rot. Bonds2

About 3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide

3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide (PubChem CID 147907702) has the molecular formula C15H10F2N4O2 and a molecular weight of 316.27 g/mol. Its IUPAC name is 3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide
PubChem CID147907702
Molecular FormulaC15H10F2N4O2
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC Name3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide
SMILESN#Cc1ccc(O)c(C(=O)N=C(N)N)c1-c1cccc(F)c1F
InChIInChI=1S/C15H10F2N4O2/c16-9-3-1-2-8(13(9)17)11-7(6-18)4-5-10(22)12(11)14(23)21-15(19)20/h1-5,22H,(H4,19,20,21,23)
InChIKeyIFMYKPOUIQGBGL-UHFFFAOYSA-N
XLogP1.62
TPSA125.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2',4'-Difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxamide
CID 20526686
2-Hydroxy-1-naphthamide
CID 15105224
2-[3,5-Bis(trifluoromethyl)phenyl]-4-hydroxybenzene-1,3-dicarboxamide
CID 17860123
3-[3,5-Bis(trifluoromethyl)phenyl]-5-cyano-2-hydroxybenzamide
CID 17860232
5-(4-Fluorophenyl)-2-hydroxy-3-methylbenzamide
CID 21416449
4'-Fluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxamide
CID 21416470
4-Hydroxy-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxamide
CID 67555859
4-Hydroxy-2'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxamide
CID 67555964
2-[(4-Cyano-2-hydroxyphenyl)methyl]-4-fluorobenzamide
CID 69346358
N-(diaminomethylidene)-9-fluoro-5-(4-fluoro-2-hydroxyphenyl)benzo[7]annulene-3-carboxamide
CID 88535458
5-(2,4-difluorophenyl)-N,2-dihydroxybenzamide
CID 89514683
3'-Fluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxamide
CID 141087492

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide?
The IUPAC name of 3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide (CID 147907702) is 3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide is N#Cc1ccc(O)c(C(=O)N=C(N)N)c1-c1cccc(F)c1F.
What is the InChIKey of 3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide?
The InChIKey is IFMYKPOUIQGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O2/c16-9-3-1-2-8(13(9)17)11-7(6-18)4-5-10(22)12(11)14(23)21-15(19)20/h1-5,22H,(H4,19,20,21,23).
What are the key properties of 3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide?
3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide has a molecular weight of 316.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide is sourced from PubChem (CID 147907702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).