2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate

C15H20Cl2N2O3 — CID 7237354

IUPAC2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
SMILESCCC/N=C(/NC(=O)c1ccc(Cl)c(Cl)c1)OCCOCC
InChIInChI=1S/C15H20Cl2N2O3/c1-3-7-18-15(22-9-8-21-4-2)19-14(20)11-5-6-12(16)13(17)10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,19,20)
InChIKeyKWZADZLOICSIBT-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.54
Rot. Bonds7

About 2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate

2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate (PubChem CID 7237354) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate.

Molecular Properties

Compound Name2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
PubChem CID7237354
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
SMILESCCC/N=C(/NC(=O)c1ccc(Cl)c(Cl)c1)OCCOCC
InChIInChI=1S/C15H20Cl2N2O3/c1-3-7-18-15(22-9-8-21-4-2)19-14(20)11-5-6-12(16)13(17)10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,19,20)
InChIKeyKWZADZLOICSIBT-UHFFFAOYSA-N
XLogP3.54
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.54
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-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
CID 7493286
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate
CID 7283313
2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 46125593
2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 7416243
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
CID 7271327
ethyl N-(4-fluorobenzoyl)-N'-propylcarbamimidate
CID 3880683
propyl N-(3,4-dichlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
CID 7418573
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 5145915
3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
CID 43590642
3,4-dichloro-N-[2-[[N'-(4-ethoxybutyl)-N-ethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111943998
2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 42665456
2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate
CID 7296512

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate?
The IUPAC name of 2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate (CID 7237354) is 2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate.
What is the SMILES notation for 2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate?
The canonical SMILES for 2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate is CCC/N=C(/NC(=O)c1ccc(Cl)c(Cl)c1)OCCOCC.
What is the InChIKey of 2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate?
The InChIKey is KWZADZLOICSIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-3-7-18-15(22-9-8-21-4-2)19-14(20)11-5-6-12(16)13(17)10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate?
2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate has a molecular weight of 347.24 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate is sourced from PubChem (CID 7237354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).