N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide

C17H17FN2O2 — CID 108945493

IUPACN'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
SMILESCc1ccccc1CNC(=O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2O2/c1-12-5-2-3-6-13(12)11-19-16(21)10-17(22)20-15-8-4-7-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySWSMJPFLBRLWKV-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.78
Rot. Bonds5

About N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide

N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide (PubChem CID 108945493) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
PubChem CID108945493
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
SMILESCc1ccccc1CNC(=O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2O2/c1-12-5-2-3-6-13(12)11-19-16(21)10-17(22)20-15-8-4-7-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySWSMJPFLBRLWKV-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945423
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 30723158
N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108954227
6-N-(3-fluorophenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097396
N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445
N'-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945444
N'-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947561
N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945437
N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956592
N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945452
2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 24980231

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide (CID 108945493) is N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide is Cc1ccccc1CNC(=O)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The InChIKey is SWSMJPFLBRLWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-5-2-3-6-13(12)11-19-16(21)10-17(22)20-15-8-4-7-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide?
N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide has a molecular weight of 300.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).