2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide

C19H20F2N2O3 — CID 46686812

IUPAC2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O3/c1-26-11-10-22-19(25)14-4-2-3-5-17(14)23-18(24)9-7-13-6-8-15(20)16(21)12-13/h2-6,8,12H,7,9-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyYRUUGQLNHAAMKY-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.91
Rot. Bonds8

About 2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide

2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 46686812) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
PubChem CID46686812
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O3/c1-26-11-10-22-19(25)14-4-2-3-5-17(14)23-18(24)9-7-13-6-8-15(20)16(21)12-13/h2-6,8,12H,7,9-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyYRUUGQLNHAAMKY-UHFFFAOYSA-N
XLogP2.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.91
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

N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 41455603
2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 99958293
2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 100536807
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
CID 120604283
3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676471
N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849
2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
CID 60836653
2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
CID 34755714
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide (CID 46686812) is 2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is YRUUGQLNHAAMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-26-11-10-22-19(25)14-4-2-3-5-17(14)23-18(24)9-7-13-6-8-15(20)16(21)12-13/h2-6,8,12H,7,9-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 362.38 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 46686812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).