2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide

C18H18F2N2O3 — CID 56788999

IUPAC2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
SMILESCOCc1cccc(C(=O)NCCNC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C18H18F2N2O3/c1-25-11-12-4-2-5-13(10-12)17(23)21-8-9-22-18(24)16-14(19)6-3-7-15(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyJECPUOQWJYFRRB-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.27
Rot. Bonds7

About 2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide

2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide (PubChem CID 56788999) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
PubChem CID56788999
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
SMILESCOCc1cccc(C(=O)NCCNC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C18H18F2N2O3/c1-25-11-12-4-2-5-13(10-12)17(23)21-8-9-22-18(24)16-14(19)6-3-7-15(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyJECPUOQWJYFRRB-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide
CID 51201923
N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 9481032
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate
CID 103879076
3-(methoxymethyl)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278890
2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide (CID 56788999) is 2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide is COCc1cccc(C(=O)NCCNC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of 2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide?
The InChIKey is JECPUOQWJYFRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-25-11-12-4-2-5-13(10-12)17(23)21-8-9-22-18(24)16-14(19)6-3-7-15(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide?
2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 56788999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).