N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide

C16H13BrF2N2O2 — CID 108956659

IUPACN-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
SMILESCc1cc(Br)ccc1NC(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13BrF2N2O2/c1-9-6-10(17)2-4-13(9)20-15(22)8-16(23)21-14-5-3-11(18)7-12(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyQZKKYMALXLLSBA-UHFFFAOYSA-N
MW383.19 g/mol
LogP4.00
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide

N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide (PubChem CID 108956659) has the molecular formula C16H13BrF2N2O2 and a molecular weight of 383.19 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
PubChem CID108956659
Molecular FormulaC16H13BrF2N2O2
Molecular Weight383.19 g/mol
Exact Mass382.01
IUPAC NameN-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
SMILESCc1cc(Br)ccc1NC(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13BrF2N2O2/c1-9-6-10(17)2-4-13(9)20-15(22)8-16(23)21-14-5-3-11(18)7-12(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyQZKKYMALXLLSBA-UHFFFAOYSA-N
XLogP4.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 54.00
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-2-methylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956666
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369090
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369741
N-(4-bromo-2-fluorophenyl)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369736
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30314995

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide (CID 108956659) is N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide is Cc1cc(Br)ccc1NC(=O)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide?
The InChIKey is QZKKYMALXLLSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2O2/c1-9-6-10(17)2-4-13(9)20-15(22)8-16(23)21-14-5-3-11(18)7-12(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide?
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide has a molecular weight of 383.19 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide is sourced from PubChem (CID 108956659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).