N-(1-phenylethyl)benzenecarboximidoyl chloride

C15H14ClN — CID 14043800

IUPACN-(1-phenylethyl)benzenecarboximidoyl chloride
SMILESCC(/N=C(\Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14ClN/c1-12(13-8-4-2-5-9-13)17-15(16)14-10-6-3-7-11-14/h2-12H,1H3/b17-15-
InChIKeyGTJQSQSFZLUPSM-ICFOKQHNSA-N
MW243.74 g/mol
LogP4.43
Rot. Bonds3

About N-(1-phenylethyl)benzenecarboximidoyl chloride

N-(1-phenylethyl)benzenecarboximidoyl chloride (PubChem CID 14043800) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is N-(1-phenylethyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-(1-phenylethyl)benzenecarboximidoyl chloride
PubChem CID14043800
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC NameN-(1-phenylethyl)benzenecarboximidoyl chloride
SMILESCC(/N=C(\Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14ClN/c1-12(13-8-4-2-5-9-13)17-15(16)14-10-6-3-7-11-14/h2-12H,1H3/b17-15-
InChIKeyGTJQSQSFZLUPSM-ICFOKQHNSA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-ylbenzenecarboximidoyl chloride
CID 7131025
N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine
CID 22603743
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride
CID 10966483
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine
CID 58667257
N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine
CID 22603744
(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
CID 6141172
1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
CID 102238244
1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine
CID 54410144
1,2,3-tris[(1S)-1-phenylethyl]guanidine
CID 101384426
4-(1-phenylethylimino)pentan-2-one
CID 56976163

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)benzenecarboximidoyl chloride?
The IUPAC name of N-(1-phenylethyl)benzenecarboximidoyl chloride (CID 14043800) is N-(1-phenylethyl)benzenecarboximidoyl chloride.
What is the SMILES notation for N-(1-phenylethyl)benzenecarboximidoyl chloride?
The canonical SMILES for N-(1-phenylethyl)benzenecarboximidoyl chloride is CC(/N=C(\Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)benzenecarboximidoyl chloride?
The InChIKey is GTJQSQSFZLUPSM-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H14ClN/c1-12(13-8-4-2-5-9-13)17-15(16)14-10-6-3-7-11-14/h2-12H,1H3/b17-15-.
What are the key properties of N-(1-phenylethyl)benzenecarboximidoyl chloride?
N-(1-phenylethyl)benzenecarboximidoyl chloride has a molecular weight of 243.74 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 14043800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).