N-(2-fluorophenyl)-N-methylbenzenecarboximidamide

C14H13FN2 — CID 55159016

IUPACN-(2-fluorophenyl)-N-methylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(C)c1ccccc1F
InChIInChI=1S/C14H13FN2/c1-17(13-10-6-5-9-12(13)15)14(16)11-7-3-2-4-8-11/h2-10,16H,1H3/b16-14+
InChIKeyGXGMINNVTLHVAT-JQIJEIRASA-N
MW228.27 g/mol
LogP3.29
Rot. Bonds2

About N-(2-fluorophenyl)-N-methylbenzenecarboximidamide

N-(2-fluorophenyl)-N-methylbenzenecarboximidamide (PubChem CID 55159016) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methylbenzenecarboximidamide
PubChem CID55159016
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC NameN-(2-fluorophenyl)-N-methylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(C)c1ccccc1F
InChIInChI=1S/C14H13FN2/c1-17(13-10-6-5-9-12(13)15)14(16)11-7-3-2-4-8-11/h2-10,16H,1H3/b16-14+
InChIKeyGXGMINNVTLHVAT-JQIJEIRASA-N
XLogP3.29
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
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

2-[(2-fluorophenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186185
N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide
CID 102200387
N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
CID 63725873
N-benzyl-N-(2-fluorophenyl)ethanimidamide
CID 155027785
N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide
CID 63181437
N-(2-fluorophenyl)-3,5-dihydroxy-N-methylbenzamide
CID 107703878
N'-[N-(benzenecarboximidoyl)-N-methylcarbamimidoyl]benzenecarboximidamide
CID 123674972
3-[[(2,6-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 114930355
N-[(Z)-1-diazenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-1-en-2-yl]-2-fluoro-N-methylaniline
CID 135246270
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027766
N-(2-fluorophenyl)-N-propan-2-ylbenzamide
CID 141030490

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methylbenzenecarboximidamide?
The IUPAC name of N-(2-fluorophenyl)-N-methylbenzenecarboximidamide (CID 55159016) is N-(2-fluorophenyl)-N-methylbenzenecarboximidamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methylbenzenecarboximidamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methylbenzenecarboximidamide is [H]/N=C(\c1ccccc1)N(C)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-methylbenzenecarboximidamide?
The InChIKey is GXGMINNVTLHVAT-JQIJEIRASA-N. The full InChI is InChI=1S/C14H13FN2/c1-17(13-10-6-5-9-12(13)15)14(16)11-7-3-2-4-8-11/h2-10,16H,1H3/b16-14+.
What are the key properties of N-(2-fluorophenyl)-N-methylbenzenecarboximidamide?
N-(2-fluorophenyl)-N-methylbenzenecarboximidamide has a molecular weight of 228.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methylbenzenecarboximidamide is sourced from PubChem (CID 55159016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).