N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide

C15H11BrF2N2O2 — CID 108956631

IUPACN'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Br)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11BrF2N2O2/c16-10-3-1-2-4-13(10)20-15(22)8-14(21)19-9-5-6-11(17)12(18)7-9/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyGJSSMYJNRBQNBF-UHFFFAOYSA-N
MW369.17 g/mol
LogP3.69
Rot. Bonds4

About N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide

N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide (PubChem CID 108956631) has the molecular formula C15H11BrF2N2O2 and a molecular weight of 369.17 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide
PubChem CID108956631
Molecular FormulaC15H11BrF2N2O2
Molecular Weight369.17 g/mol
Exact Mass368.00
IUPAC NameN'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Br)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11BrF2N2O2/c16-10-3-1-2-4-13(10)20-15(22)8-14(21)19-9-5-6-11(17)12(18)7-9/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyGJSSMYJNRBQNBF-UHFFFAOYSA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 53.69
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,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N'-(4-bromo-2-methylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956666
N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide
CID 108956143
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959
N-(3,4-difluorophenyl)propanamide
CID 4285365
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
CID 108956825
N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide
CID 108951290

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide?
The IUPAC name of N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide (CID 108956631) is N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide.
What is the SMILES notation for N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide?
The canonical SMILES for N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide is O=C(CC(=O)Nc1ccccc1Br)Nc1ccc(F)c(F)c1.
What is the InChIKey of N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide?
The InChIKey is GJSSMYJNRBQNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2O2/c16-10-3-1-2-4-13(10)20-15(22)8-14(21)19-9-5-6-11(17)12(18)7-9/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide?
N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide has a molecular weight of 369.17 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide is sourced from PubChem (CID 108956631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).