N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide

C13H11ClFN3 — CID 67958780

IUPACN'-(2-chloroanilino)-4-fluorobenzenecarboximidamide
SMILESNC(=NNc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H11ClFN3/c14-11-3-1-2-4-12(11)17-18-13(16)9-5-7-10(15)8-6-9/h1-8,17H,(H2,16,18)
InChIKeyNGRBRUHIUSHECO-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.21
Rot. Bonds3

About N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide

N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide (PubChem CID 67958780) has the molecular formula C13H11ClFN3 and a molecular weight of 263.70 g/mol. Its IUPAC name is N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-chloroanilino)-4-fluorobenzenecarboximidamide
PubChem CID67958780
Molecular FormulaC13H11ClFN3
Molecular Weight263.70 g/mol
Exact Mass263.06
IUPAC NameN'-(2-chloroanilino)-4-fluorobenzenecarboximidamide
SMILESNC(=NNc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H11ClFN3/c14-11-3-1-2-4-12(11)17-18-13(16)9-5-7-10(15)8-6-9/h1-8,17H,(H2,16,18)
InChIKeyNGRBRUHIUSHECO-UHFFFAOYSA-N
XLogP3.21
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N'-(2-chloroanilino)benzenecarboximidamide
CID 134068294
N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride
CID 171114666
N-(benzhydrylideneamino)-2-chloroaniline
CID 11515058
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid
CID 87583449
N'-amino-4-fluorobenzenecarboximidamide;hydrochloride
CID 68690299
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 112760791
2-chloro-N-[(E)-1-nitroethylideneamino]aniline
CID 170698173
N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 5077271
4-(2-chloroanilino)-3-fluorobenzenecarbothioamide
CID 43657796
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
N'-(2-chloroanilino)-N,N-diethylethanimidamide
CID 25018588

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide?
The IUPAC name of N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide (CID 67958780) is N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide?
The canonical SMILES for N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide is NC(=NNc1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide?
The InChIKey is NGRBRUHIUSHECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3/c14-11-3-1-2-4-12(11)17-18-13(16)9-5-7-10(15)8-6-9/h1-8,17H,(H2,16,18).
What are the key properties of N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide?
N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide has a molecular weight of 263.70 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide is sourced from PubChem (CID 67958780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).