N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide

C20H21ClFNO3 — CID 55756901

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C20H21ClFNO3/c21-18-7-4-8-19(22)17(18)13-23(15-9-10-15)20(24)14-25-11-12-26-16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeyWSPPEXZFNYYDOG-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.07
Rot. Bonds9

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide (PubChem CID 55756901) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide
PubChem CID55756901
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C20H21ClFNO3/c21-18-7-4-8-19(22)17(18)13-23(15-9-10-15)20(24)14-25-11-12-26-16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeyWSPPEXZFNYYDOG-UHFFFAOYSA-N
XLogP4.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124849617
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide
CID 55758061
cis-(1R,3S)-3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]cyclopentane-1-carboxylic acid
CID 171912650
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 47017544
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chloro-3-methylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18884125
3-[[benzyl(methyl)carbamoyl]amino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpropanamide
CID 56516235
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55630456
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid
CID 54945915
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46533779

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide (CID 55756901) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide is O=C(COCCOc1ccccc1)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide?
The InChIKey is WSPPEXZFNYYDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO3/c21-18-7-4-8-19(22)17(18)13-23(15-9-10-15)20(24)14-25-11-12-26-16-5-2-1-3-6-16/h1-8,15H,9-14H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide has a molecular weight of 377.84 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 55756901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).