2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate

C19H21FN2O3 — CID 7261343

IUPAC2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate
SMILESCCOCCO/C(=N\Cc1ccccc1)NC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-2-24-12-13-25-19(21-14-15-8-4-3-5-9-15)22-18(23)16-10-6-7-11-17(16)20/h3-11H,2,12-14H2,1H3,(H,21,22,23)
InChIKeyQCNOWWQSAJVSJX-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.16
Rot. Bonds7

About 2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate

2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate (PubChem CID 7261343) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate.

Molecular Properties

Compound Name2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate
PubChem CID7261343
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate
SMILESCCOCCO/C(=N\Cc1ccccc1)NC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-2-24-12-13-25-19(21-14-15-8-4-3-5-9-15)22-18(23)16-10-6-7-11-17(16)20/h3-11H,2,12-14H2,1H3,(H,21,22,23)
InChIKeyQCNOWWQSAJVSJX-UHFFFAOYSA-N
XLogP3.16
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl N'-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorobenzoyl)carbamimidate
CID 46125629
propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate
CID 4131696
2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate
CID 7249897
ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 7414333
ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate
CID 174974451
2-ethoxyethyl N-(4-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296539
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296851
2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 7416243
2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 6167481
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
2-(2-ethoxyethoxy)-N-(2-fluorophenyl)benzamide
CID 17122747

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate?
The IUPAC name of 2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate (CID 7261343) is 2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate.
What is the SMILES notation for 2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate?
The canonical SMILES for 2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate is CCOCCO/C(=N\Cc1ccccc1)NC(=O)c1ccccc1F.
What is the InChIKey of 2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate?
The InChIKey is QCNOWWQSAJVSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-2-24-12-13-25-19(21-14-15-8-4-3-5-9-15)22-18(23)16-10-6-7-11-17(16)20/h3-11H,2,12-14H2,1H3,(H,21,22,23).
What are the key properties of 2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate?
2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate has a molecular weight of 344.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate is sourced from PubChem (CID 7261343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).