N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide

C15H21F2NO2 — CID 86907972

IUPACN-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO2/c1-3-5-10-18(4-2)14(19)11-12-6-8-13(9-7-12)20-15(16)17/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyRTVRBHQYFGRGTP-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.48
Rot. Bonds8

About N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide

N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide (PubChem CID 86907972) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide
PubChem CID86907972
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC NameN-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO2/c1-3-5-10-18(4-2)14(19)11-12-6-8-13(9-7-12)20-15(16)17/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyRTVRBHQYFGRGTP-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60682400
2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78809159
butyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 113221190
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572897
2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 38688648
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 86976342
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide?
The IUPAC name of N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide (CID 86907972) is N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide.
What is the SMILES notation for N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide?
The canonical SMILES for N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide is CCCCN(CC)C(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide?
The InChIKey is RTVRBHQYFGRGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-3-5-10-18(4-2)14(19)11-12-6-8-13(9-7-12)20-15(16)17/h6-9,15H,3-5,10-11H2,1-2H3.
What are the key properties of N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide?
N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide has a molecular weight of 285.33 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide is sourced from PubChem (CID 86907972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).