ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate

C19H21FN2O2 — CID 7283357

IUPACethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate
SMILESCCO/C(=N\CCCc1ccccc1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-24-19(21-14-6-9-15-7-4-3-5-8-15)22-18(23)16-10-12-17(20)13-11-16/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,21,22,23)
InChIKeyWMAPXKVMWSAWOA-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.58
Rot. Bonds6

About ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate

ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate (PubChem CID 7283357) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate.

Molecular Properties

Compound Nameethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate
PubChem CID7283357
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Nameethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate
SMILESCCO/C(=N\CCCc1ccccc1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-24-19(21-14-6-9-15-7-4-3-5-8-15)22-18(23)16-10-12-17(20)13-11-16/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,21,22,23)
InChIKeyWMAPXKVMWSAWOA-UHFFFAOYSA-N
XLogP3.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate?
The IUPAC name of ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate (CID 7283357) is ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate.
What is the SMILES notation for ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate?
The canonical SMILES for ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate is CCO/C(=N\CCCc1ccccc1)NC(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate?
The InChIKey is WMAPXKVMWSAWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-2-24-19(21-14-6-9-15-7-4-3-5-8-15)22-18(23)16-10-12-17(20)13-11-16/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,21,22,23).
What are the key properties of ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate?
ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate has a molecular weight of 328.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-fluorobenzoyl)-N'-(3-phenylpropyl)carbamimidate is sourced from PubChem (CID 7283357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).