N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide

C18H18BrFN2O2 — CID 108948480

IUPACN'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
SMILESCc1cc(NC(=O)CC(=O)NCCc2ccc(F)cc2)ccc1Br
InChIInChI=1S/C18H18BrFN2O2/c1-12-10-15(6-7-16(12)19)22-18(24)11-17(23)21-9-8-13-2-4-14(20)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyIUEVEWRSFSBRLT-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.58
Rot. Bonds6

About N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide

N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide (PubChem CID 108948480) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
PubChem CID108948480
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC NameN'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
SMILESCc1cc(NC(=O)CC(=O)NCCc2ccc(F)cc2)ccc1Br
InChIInChI=1S/C18H18BrFN2O2/c1-12-10-15(6-7-16(12)19)22-18(24)11-17(23)21-9-8-13-2-4-14(20)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyIUEVEWRSFSBRLT-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.58
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'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948414
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956592
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-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112998503
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165178
3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025846
N'-(4-bromo-3-methylphenyl)-N-prop-2-enylpropanediamide
CID 108941323
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26437572

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The IUPAC name of N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide (CID 108948480) is N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The canonical SMILES for N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide is Cc1cc(NC(=O)CC(=O)NCCc2ccc(F)cc2)ccc1Br.
What is the InChIKey of N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The InChIKey is IUEVEWRSFSBRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-12-10-15(6-7-16(12)19)22-18(24)11-17(23)21-9-8-13-2-4-14(20)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide has a molecular weight of 393.26 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide is sourced from PubChem (CID 108948480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).