N-benzyl-N-(2-fluorophenyl)ethanimidamide

C15H15FN2 — CID 155027785

IUPACN-benzyl-N-(2-fluorophenyl)ethanimidamide
SMILES[H]/N=C(\C)N(Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H15FN2/c1-12(17)18(11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)16/h2-10,17H,11H2,1H3/b17-12+
InChIKeyYHXDGBMNLKQFMP-SFQUDFHCSA-N
MW242.30 g/mol
LogP3.83
Rot. Bonds3

About N-benzyl-N-(2-fluorophenyl)ethanimidamide

N-benzyl-N-(2-fluorophenyl)ethanimidamide (PubChem CID 155027785) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is N-benzyl-N-(2-fluorophenyl)ethanimidamide.

Molecular Properties

Compound NameN-benzyl-N-(2-fluorophenyl)ethanimidamide
PubChem CID155027785
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC NameN-benzyl-N-(2-fluorophenyl)ethanimidamide
SMILES[H]/N=C(\C)N(Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H15FN2/c1-12(17)18(11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)16/h2-10,17H,11H2,1H3/b17-12+
InChIKeyYHXDGBMNLKQFMP-SFQUDFHCSA-N
XLogP3.83
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.83
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

benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
(2-fluorophenyl)-(2-phenylethyl)carbamic acid
CID 154111603
2-(N-acetyl-2-fluoroanilino)acetic acid
CID 28765395
3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
CID 113126703
N-(2-fluorophenyl)-N-methylbenzenecarboximidamide
CID 55159016
1-benzyl-1-phenylguanidine
CID 9460
4-[benzyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285393
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide
CID 87179245
N,N-bis(2-methylphenyl)ethanimidamide
CID 53437204
1,1-dibenzylguanidine
CID 9487

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-fluorophenyl)ethanimidamide?
The IUPAC name of N-benzyl-N-(2-fluorophenyl)ethanimidamide (CID 155027785) is N-benzyl-N-(2-fluorophenyl)ethanimidamide.
What is the SMILES notation for N-benzyl-N-(2-fluorophenyl)ethanimidamide?
The canonical SMILES for N-benzyl-N-(2-fluorophenyl)ethanimidamide is [H]/N=C(\C)N(Cc1ccccc1)c1ccccc1F.
What is the InChIKey of N-benzyl-N-(2-fluorophenyl)ethanimidamide?
The InChIKey is YHXDGBMNLKQFMP-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H15FN2/c1-12(17)18(11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)16/h2-10,17H,11H2,1H3/b17-12+.
What are the key properties of N-benzyl-N-(2-fluorophenyl)ethanimidamide?
N-benzyl-N-(2-fluorophenyl)ethanimidamide has a molecular weight of 242.30 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-fluorophenyl)ethanimidamide is sourced from PubChem (CID 155027785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).