N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide

C18H19F2NO2 — CID 42961731

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C18H19F2NO2/c1-11-7-8-12(2)16(9-11)17(22)21-13(3)14-5-4-6-15(10-14)23-18(19)20/h4-10,13,18H,1-3H3,(H,21,22)
InChIKeySPWBZIPYAJDDCN-UHFFFAOYSA-N
MW319.35 g/mol
LogP4.40
Rot. Bonds5

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide (PubChem CID 42961731) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
PubChem CID42961731
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C18H19F2NO2/c1-11-7-8-12(2)16(9-11)17(22)21-13(3)14-5-4-6-15(10-14)23-18(19)20/h4-10,13,18H,1-3H3,(H,21,22)
InChIKeySPWBZIPYAJDDCN-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide
CID 42961734
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
CID 81355155
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667280
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 55959876
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
CID 46469859
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62789080
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-methylbut-2-enamide
CID 94117441
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-2-enamide
CID 112727974
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513620
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 63048536
3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
CID 55710254

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide (CID 42961731) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC(C)c2cccc(OC(F)F)c2)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide?
The InChIKey is SPWBZIPYAJDDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-11-7-8-12(2)16(9-11)17(22)21-13(3)14-5-4-6-15(10-14)23-18(19)20/h4-10,13,18H,1-3H3,(H,21,22).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide has a molecular weight of 319.35 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 42961731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).