2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

C18H16ClFN2O4 — CID 8587517

IUPAC2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H16ClFN2O4/c19-15-9-14(22(24)25)7-8-17(15)26-11-18(23)21(13-5-6-13)10-12-3-1-2-4-16(12)20/h1-4,7-9,13H,5-6,10-11H2
InChIKeyXVTKVIVVARBPPH-UHFFFAOYSA-N
MW378.79 g/mol
LogP3.96
Rot. Bonds7

About 2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 8587517) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID8587517
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H16ClFN2O4/c19-15-9-14(22(24)25)7-8-17(15)26-11-18(23)21(13-5-6-13)10-12-3-1-2-4-16(12)20/h1-4,7-9,13H,5-6,10-11H2
InChIKeyXVTKVIVVARBPPH-UHFFFAOYSA-N
XLogP3.96
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18277585
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-amino-4-nitrobenzoate
CID 8808704
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 27316931
2-(4-chloro-3-methylphenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 55391124
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 9490950
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18103051
N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977916
(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate
CID 8881772
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
2-(2-chloro-4-nitrophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
CID 7865974
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide (CID 8587517) is 2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide is O=C(COc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is XVTKVIVVARBPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c19-15-9-14(22(24)25)7-8-17(15)26-11-18(23)21(13-5-6-13)10-12-3-1-2-4-16(12)20/h1-4,7-9,13H,5-6,10-11H2.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 378.79 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 8587517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).