N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide

C17H17F2NO2 — CID 46821055

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide
SMILESCC(C1=CC(=C(C=C1)F)F)NC(=O)C2=CC=CC(=C2)COC
InChIInChI=1S/C17H17F2NO2/c1-11(13-6-7-15(18)16(19)9-13)20-17(21)14-5-3-4-12(8-14)10-22-2/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyIAGPSHFHVFKVGZ-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide

N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide (PubChem CID 46821055) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide
PubChem CID46821055
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide
SMILESCC(C1=CC(=C(C=C1)F)F)NC(=O)C2=CC=CC(=C2)COC
InChIInChI=1S/C17H17F2NO2/c1-11(13-6-7-15(18)16(19)9-13)20-17(21)14-5-3-4-12(8-14)10-22-2/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyIAGPSHFHVFKVGZ-UHFFFAOYSA-N
XLogP2.90
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity367

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2318
Benfluorex, (S)-
CID 6604374
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N-cycloheptyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1223091
N-cyclohexyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1223159
[2-(Benzylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4193806
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-m-tolyl-ethyl}-2,4-difluoro-benzamide
CID 10874453
[3-[(1-Benzylpiperidin-4-yl)carbamoyl]phenyl]methyl nitrate
CID 156020125
N-benzhydryl-3-(methoxymethyl)benzamide
CID 7603142
N-propyl-3-[(2,2,3,3-tetrafluoropropoxy)methyl]benzamide
CID 1765609
2-[(4-Fluorobenzoyl)amino]ethyl 4-fluorobenzoate
CID 22310468

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide (CID 46821055) is N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide is CC(C1=CC(=C(C=C1)F)F)NC(=O)C2=CC=CC(=C2)COC.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide?
The InChIKey is IAGPSHFHVFKVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-11(13-6-7-15(18)16(19)9-13)20-17(21)14-5-3-4-12(8-14)10-22-2/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide?
N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide has a molecular weight of 305.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 46821055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).