N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide

C18H19F2NO2 — CID 75807721

IUPACN-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCCN(C(=O)c1ccc(F)cc1F)C(C)c1cccc(OC)c1
InChIInChI=1S/C18H19F2NO2/c1-4-21(12(2)13-6-5-7-15(10-13)23-3)18(22)16-9-8-14(19)11-17(16)20/h5-12H,4H2,1-3H3
InChIKeyJRHKFMOHIXOYNF-UHFFFAOYSA-N
MW319.35 g/mol
LogP4.20
Rot. Bonds5

About N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide

N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 75807721) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID75807721
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC NameN-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCCN(C(=O)c1ccc(F)cc1F)C(C)c1cccc(OC)c1
InChIInChI=1S/C18H19F2NO2/c1-4-21(12(2)13-6-5-7-15(10-13)23-3)18(22)16-9-8-14(19)11-17(16)20/h5-12H,4H2,1-3H3
InChIKeyJRHKFMOHIXOYNF-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 55593336
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 87037661
2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 112821920
1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43612562
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182
1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78886119
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide (CID 75807721) is N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide is CCN(C(=O)c1ccc(F)cc1F)C(C)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is JRHKFMOHIXOYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-4-21(12(2)13-6-5-7-15(10-13)23-3)18(22)16-9-8-14(19)11-17(16)20/h5-12H,4H2,1-3H3.
What are the key properties of N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide?
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 319.35 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 75807721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).