N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide

C10H13FN6O — CID 168602665

IUPACN-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C(\N)N=C(N)N)cc1F
InChIInChI=1S/C10H13FN6O/c1-5(18)15-8-3-2-6(4-7(8)11)16-10(14)17-9(12)13/h2-4H,1H3,(H,15,18)(H6,12,13,14,16,17)
InChIKeyNGUYAVYMFFBIKS-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.00
Rot. Bonds2

About N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide

N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide (PubChem CID 168602665) has the molecular formula C10H13FN6O and a molecular weight of 252.25 g/mol. Its IUPAC name is N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide
PubChem CID168602665
Molecular FormulaC10H13FN6O
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC NameN-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C(\N)N=C(N)N)cc1F
InChIInChI=1S/C10H13FN6O/c1-5(18)15-8-3-2-6(4-7(8)11)16-10(14)17-9(12)13/h2-4H,1H3,(H,15,18)(H6,12,13,14,16,17)
InChIKeyNGUYAVYMFFBIKS-UHFFFAOYSA-N
XLogP0.00
TPSA131.88 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
methyl N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]carbamate
CID 168605433
1-(diaminomethylidene)-2-(3,5-difluoro-4-iodophenyl)guanidine;hydrochloride
CID 146317018
methyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoate
CID 168600995
methyl 4-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-fluorobenzoate
CID 168604281
methyl 6-[[amino-(diaminomethylideneamino)methylidene]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 168601999
N-[4-[(carbamothioylhydrazinylidene)methyl]-2-fluorophenyl]acetamide
CID 3001792
N-[4-[[N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]phenyl]acetamide
CID 54149924
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166166783
1-(diaminomethylidene)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]guanidine
CID 168604054

Frequently Asked Questions

What is the IUPAC name of N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide (CID 168602665) is N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide is CC(=O)Nc1ccc(/N=C(\N)N=C(N)N)cc1F.
What is the InChIKey of N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide?
The InChIKey is NGUYAVYMFFBIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6O/c1-5(18)15-8-3-2-6(4-7(8)11)16-10(14)17-9(12)13/h2-4H,1H3,(H,15,18)(H6,12,13,14,16,17).
What are the key properties of N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide?
N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide has a molecular weight of 252.25 g/mol, XLogP of 0.00, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 168602665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).