N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide

C17H17FN2O3 — CID 108946915

IUPACN'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C17H17FN2O3/c1-23-15-9-5-2-6-12(15)11-19-16(21)10-17(22)20-14-8-4-3-7-13(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyJTBSRXZATNTAMS-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.48
Rot. Bonds6

About N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide

N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (PubChem CID 108946915) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
PubChem CID108946915
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C17H17FN2O3/c1-23-15-9-5-2-6-12(15)11-19-16(21)10-17(22)20-14-8-4-3-7-13(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyJTBSRXZATNTAMS-UHFFFAOYSA-N
XLogP2.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946916
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445
1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649540
N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946920
N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946965
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 4788891
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946951
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (CID 108946915) is N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide is COc1ccccc1CNC(=O)CC(=O)Nc1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The InChIKey is JTBSRXZATNTAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-15-9-5-2-6-12(15)11-19-16(21)10-17(22)20-14-8-4-3-7-13(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide has a molecular weight of 316.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108946915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).