N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide

C19H21FN2O2 — CID 108948414

IUPACN'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NCCc2ccc(F)cc2)cc1C
InChIInChI=1S/C19H21FN2O2/c1-13-3-8-17(11-14(13)2)22-19(24)12-18(23)21-10-9-15-4-6-16(20)7-5-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFDRQOHYULCZQGZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.13
Rot. Bonds6

About N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide

N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide (PubChem CID 108948414) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
PubChem CID108948414
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NCCc2ccc(F)cc2)cc1C
InChIInChI=1S/C19H21FN2O2/c1-13-3-8-17(11-14(13)2)22-19(24)12-18(23)21-10-9-15-4-6-16(20)7-5-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFDRQOHYULCZQGZ-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.13
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'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948480
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948432
ethyl 4-[[3-[2-(4-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948485
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021226
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-[2-(4-fluorophenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108948472
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 108894116
N-(3,4-dimethylphenyl)-3,3-bis[(4-fluorophenyl)sulfanyl]propanamide
CID 123916761
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide (CID 108948414) is N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide is Cc1ccc(NC(=O)CC(=O)NCCc2ccc(F)cc2)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The InChIKey is FDRQOHYULCZQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-3-8-17(11-14(13)2)22-19(24)12-18(23)21-10-9-15-4-6-16(20)7-5-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide has a molecular weight of 328.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide is sourced from PubChem (CID 108948414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).