N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide

C18H19F2NO3 — CID 51201923

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C18H19F2NO3/c1-23-12-14-3-2-4-15(11-14)17(22)21-10-9-13-5-7-16(8-6-13)24-18(19)20/h2-8,11,18H,9-10,12H2,1H3,(H,21,22)
InChIKeyMSVUOIUVRBKWII-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.41
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide (PubChem CID 51201923) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide
PubChem CID51201923
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C18H19F2NO3/c1-23-12-14-3-2-4-15(11-14)17(22)21-10-9-13-5-7-16(8-6-13)24-18(19)20/h2-8,11,18H,9-10,12H2,1H3,(H,21,22)
InChIKeyMSVUOIUVRBKWII-UHFFFAOYSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide
CID 46612917
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27884454
3-(difluoromethoxy)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 51160991
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
CID 56788999
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(methoxymethyl)benzamide
CID 9482427
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18225243
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3-methoxybenzoate
CID 9019272
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide (CID 51201923) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCCc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide?
The InChIKey is MSVUOIUVRBKWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-23-12-14-3-2-4-15(11-14)17(22)21-10-9-13-5-7-16(8-6-13)24-18(19)20/h2-8,11,18H,9-10,12H2,1H3,(H,21,22).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide has a molecular weight of 335.35 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 51201923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).