N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide

C7H8ClFN4 — CID 145240921

IUPACN,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide
SMILESN/N=C\N(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C7H8ClFN4/c8-6-2-1-5(3-7(6)9)13(11)4-12-10/h1-4H,10-11H2/b12-4-
InChIKeyOTXNZQQYXIEKNF-QCDXTXTGSA-N
MW202.62 g/mol
LogP1.06
Rot. Bonds2

About N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide

N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide (PubChem CID 145240921) has the molecular formula C7H8ClFN4 and a molecular weight of 202.62 g/mol. Its IUPAC name is N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide.

Molecular Properties

Compound NameN,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide
PubChem CID145240921
Molecular FormulaC7H8ClFN4
Molecular Weight202.62 g/mol
Exact Mass202.04
IUPAC NameN,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide
SMILESN/N=C\N(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C7H8ClFN4/c8-6-2-1-5(3-7(6)9)13(11)4-12-10/h1-4H,10-11H2/b12-4-
InChIKeyOTXNZQQYXIEKNF-QCDXTXTGSA-N
XLogP1.06
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide?
The IUPAC name of N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide (CID 145240921) is N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide.
What is the SMILES notation for N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide?
The canonical SMILES for N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide is N/N=C\N(N)c1ccc(Cl)c(F)c1.
What is the InChIKey of N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide?
The InChIKey is OTXNZQQYXIEKNF-QCDXTXTGSA-N. The full InChI is InChI=1S/C7H8ClFN4/c8-6-2-1-5(3-7(6)9)13(11)4-12-10/h1-4H,10-11H2/b12-4-.
What are the key properties of N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide?
N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide has a molecular weight of 202.62 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-N-(4-chloro-3-fluorophenyl)methanimidamide is sourced from PubChem (CID 145240921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).