N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide

C18H18BrFN2O2 — CID 108969955

IUPACN-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C18H18BrFN2O2/c1-11-7-8-15(14(19)9-11)22-17(24)18(2,3)16(23)21-13-6-4-5-12(20)10-13/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyBZPPUXTYCSEKGR-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.50
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide

N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108969955) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide
PubChem CID108969955
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC NameN-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C18H18BrFN2O2/c1-11-7-8-15(14(19)9-11)22-17(24)18(2,3)16(23)21-13-6-4-5-12(20)10-13/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyBZPPUXTYCSEKGR-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.50
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-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968743
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161
N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969376
N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967805
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967412
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967416
N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968044
2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967343
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967373
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide
CID 108515070

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide (CID 108969955) is N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(F)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is BZPPUXTYCSEKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-11-7-8-15(14(19)9-11)22-17(24)18(2,3)16(23)21-13-6-4-5-12(20)10-13/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide?
N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 393.26 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).