ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate

C19H22ClNO2 — CID 10568530

IUPACethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate
SMILESCCO/C(CCl)=N/C(OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-3-22-18(15-20)21-19(23-4-2,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3/b21-18+
InChIKeyRDSURRRUHBJBCW-DYTRJAOYSA-N
MW331.84 g/mol
LogP4.60
Rot. Bonds7

About ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate

ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate (PubChem CID 10568530) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate.

Molecular Properties

Compound Nameethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate
PubChem CID10568530
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Nameethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate
SMILESCCO/C(CCl)=N/C(OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-3-22-18(15-20)21-19(23-4-2,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3/b21-18+
InChIKeyRDSURRRUHBJBCW-DYTRJAOYSA-N
XLogP4.60
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole
CID 139048239
(4R,5S)-2-methyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 12643448
methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate
CID 10851700
4,5,5-Trimethyl-2,2-diphenyl-1,3-oxazole
CID 12995599
(4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101351250
(4R,6S)-2-methyl-4,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 134968167
4,5-Diphenyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole
CID 164678494
1-[Ethoxy(diphenyl)methyl]-2-methyldiazene
CID 167530455
ethyl (5E)-5-(chloromethylidene)-2,2-diphenyl-1,3-oxazole-4-carboxylate
CID 21674097
(2S)-2-(chloromethyl)-2-phenyl-5H-1,3-oxazole
CID 53994305
benzyl N-benzyl-2,2,2-trichloroethanimidate
CID 54408817

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate?
The IUPAC name of ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate (CID 10568530) is ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate.
What is the SMILES notation for ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate?
The canonical SMILES for ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate is CCO/C(CCl)=N/C(OCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate?
The InChIKey is RDSURRRUHBJBCW-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-3-22-18(15-20)21-19(23-4-2,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3/b21-18+.
What are the key properties of ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate?
ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate has a molecular weight of 331.84 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate is sourced from PubChem (CID 10568530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).