N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane

C15H20ClFN2O2 — CID 172927384

IUPACN-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane
SMILESCC.CC(=O)N/C(=N\OCC1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O2.C2H6/c1-8(18)16-13(17-19-7-9-5-6-9)12-10(14)3-2-4-11(12)15;1-2/h2-4,9H,5-7H2,1H3,(H,16,17,18);1-2H3
InChIKeyVSVSNCYZPPFKIV-UHFFFAOYSA-N
MW314.79 g/mol
LogP3.73
Rot. Bonds4

About N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane

N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane (PubChem CID 172927384) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane.

Molecular Properties

Compound NameN-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane
PubChem CID172927384
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC NameN-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane
SMILESCC.CC(=O)N/C(=N\OCC1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O2.C2H6/c1-8(18)16-13(17-19-7-9-5-6-9)12-10(14)3-2-4-11(12)15;1-2/h2-4,9H,5-7H2,1H3,(H,16,17,18);1-2H3
InChIKeyVSVSNCYZPPFKIV-UHFFFAOYSA-N
XLogP3.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
2-chloro-N'-ethoxy-6-fluorobenzenecarboximidamide
CID 82471702
N-[(Z)-N-(cyclopropylmethoxy)-C-[2,3-difluoro-6-(trifluoromethyl)phenyl]carbonimidoyl]-2-phenylacetamide
CID 135515530
N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 25171731
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide
CID 2799401
N-acetyl-2,6-difluorobenzamide
CID 2805165
propyl 2-chloro-6-fluorobenzoate
CID 43389524
(E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine
CID 89317490
1-(2-chloro-6-fluorobenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006619
1-[N-(2-chloro-6-fluorophenyl)-N'-(cyclopropylmethyl)carbamimidoyl]-3-methylurea
CID 70524031

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane?
The IUPAC name of N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane (CID 172927384) is N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane.
What is the SMILES notation for N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane?
The canonical SMILES for N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane is CC.CC(=O)N/C(=N\OCC1CC1)c1c(F)cccc1Cl.
What is the InChIKey of N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane?
The InChIKey is VSVSNCYZPPFKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2.C2H6/c1-8(18)16-13(17-19-7-9-5-6-9)12-10(14)3-2-4-11(12)15;1-2/h2-4,9H,5-7H2,1H3,(H,16,17,18);1-2H3.
What are the key properties of N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane?
N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane has a molecular weight of 314.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane is sourced from PubChem (CID 172927384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).