N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide

C13H10ClFN4O2 — CID 10244793

IUPACN'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide
SMILESN/C(=N/Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C13H10ClFN4O2/c14-8-5-6-12(19(20)21)11(7-8)17-18-13(16)9-3-1-2-4-10(9)15/h1-7,17H,(H2,16,18)
InChIKeyJIUMANOBTXNBKB-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.12
Rot. Bonds4

About N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide

N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide (PubChem CID 10244793) has the molecular formula C13H10ClFN4O2 and a molecular weight of 308.70 g/mol. Its IUPAC name is N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide
PubChem CID10244793
Molecular FormulaC13H10ClFN4O2
Molecular Weight308.70 g/mol
Exact Mass308.05
IUPAC NameN'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide
SMILESN/C(=N/Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C13H10ClFN4O2/c14-8-5-6-12(19(20)21)11(7-8)17-18-13(16)9-3-1-2-4-10(9)15/h1-7,17H,(H2,16,18)
InChIKeyJIUMANOBTXNBKB-UHFFFAOYSA-N
XLogP3.12
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[(E)-N-(5-chloro-2-nitroanilino)-C-(2-fluorophenyl)carbonimidoyl]amino]-2-oxoacetate
CID 135543738
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N-bromo-5-chloro-2-nitroaniline
CID 150892624
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
4-(5-chloro-2-nitroanilino)-3-fluorobenzoic acid
CID 115469376
(5-chloro-2-nitrophenyl)sulfamic acid
CID 11842973
1-N',3-N'-bis(4,5-dichloro-2-nitroanilino)propanediimidamide
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5-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-2-nitroaniline
CID 114841688
N-[(2-aminophenyl)methyl]-5-chloro-2-nitroaniline
CID 66386269

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide?
The IUPAC name of N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide (CID 10244793) is N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide?
The canonical SMILES for N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide is N/C(=N/Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1F.
What is the InChIKey of N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide?
The InChIKey is JIUMANOBTXNBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O2/c14-8-5-6-12(19(20)21)11(7-8)17-18-13(16)9-3-1-2-4-10(9)15/h1-7,17H,(H2,16,18).
What are the key properties of N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide?
N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide has a molecular weight of 308.70 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-nitroanilino)-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 10244793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).