N-(diaminomethylidene)-2,5-difluorobenzamide

C8H7F2N3O — CID 84551330

IUPACN-(diaminomethylidene)-2,5-difluorobenzamide
SMILESNC(N)=NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C8H7F2N3O/c9-4-1-2-6(10)5(3-4)7(14)13-8(11)12/h1-3H,(H4,11,12,13,14)
InChIKeyGSXUIROHGRAKLI-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.38
Rot. Bonds1

About N-(diaminomethylidene)-2,5-difluorobenzamide

N-(diaminomethylidene)-2,5-difluorobenzamide (PubChem CID 84551330) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,5-difluorobenzamide
PubChem CID84551330
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC NameN-(diaminomethylidene)-2,5-difluorobenzamide
SMILESNC(N)=NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C8H7F2N3O/c9-4-1-2-6(10)5(3-4)7(14)13-8(11)12/h1-3H,(H4,11,12,13,14)
InChIKeyGSXUIROHGRAKLI-UHFFFAOYSA-N
XLogP0.38
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.38
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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Related Compounds

N-(diaminomethylidene)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 23212872
3-acetyl-N-(diaminomethylidene)-4-fluorobenzamide
CID 22078535
N-(diaminomethylidene)-5-(2,5-difluorophenyl)furan-2-carboxamide
CID 11737171
2-amino-5-chloro-N-(diaminomethylidene)benzamide
CID 11806026
2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine
CID 9058020
(2,5-difluorophenyl)methyl N-(diaminomethylidene)carbamate;hydrochloride
CID 19360584
2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone
CID 130136879
N-(diaminomethylidene)-3,4,5-trifluoro-2-phenylbenzamide
CID 18976404
1-(diaminomethylidene)-3-[(2,5-difluorophenyl)methyl]urea;hydrochloride
CID 19360530
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103
5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate
CID 91716914
2,4-difluorobenzamide;dihydrochloride
CID 22032026

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2,5-difluorobenzamide?
The IUPAC name of N-(diaminomethylidene)-2,5-difluorobenzamide (CID 84551330) is N-(diaminomethylidene)-2,5-difluorobenzamide.
What is the SMILES notation for N-(diaminomethylidene)-2,5-difluorobenzamide?
The canonical SMILES for N-(diaminomethylidene)-2,5-difluorobenzamide is NC(N)=NC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(diaminomethylidene)-2,5-difluorobenzamide?
The InChIKey is GSXUIROHGRAKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-4-1-2-6(10)5(3-4)7(14)13-8(11)12/h1-3H,(H4,11,12,13,14).
What are the key properties of N-(diaminomethylidene)-2,5-difluorobenzamide?
N-(diaminomethylidene)-2,5-difluorobenzamide has a molecular weight of 199.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,5-difluorobenzamide is sourced from PubChem (CID 84551330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).