N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide

C16H14BrFN2O2 — CID 108956592

IUPACN'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
SMILESCc1cc(NC(=O)CC(=O)Nc2cccc(F)c2)ccc1Br
InChIInChI=1S/C16H14BrFN2O2/c1-10-7-13(5-6-14(10)17)20-16(22)9-15(21)19-12-4-2-3-11(18)8-12/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyKFOGBOSSWRZUGL-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.86
Rot. Bonds4

About N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide

N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide (PubChem CID 108956592) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
PubChem CID108956592
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC NameN'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
SMILESCc1cc(NC(=O)CC(=O)Nc2cccc(F)c2)ccc1Br
InChIInChI=1S/C16H14BrFN2O2/c1-10-7-13(5-6-14(10)17)20-16(22)9-15(21)19-12-4-2-3-11(18)8-12/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyKFOGBOSSWRZUGL-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.86
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

3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030
2-(N-acetyl-4-bromo-3-methylanilino)-N-(3-fluorophenyl)acetamide
CID 113178204
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948480
N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704359
N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700
N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108954227
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165178
N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945493

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide?
The IUPAC name of N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide (CID 108956592) is N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide.
What is the SMILES notation for N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide?
The canonical SMILES for N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide is Cc1cc(NC(=O)CC(=O)Nc2cccc(F)c2)ccc1Br.
What is the InChIKey of N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide?
The InChIKey is KFOGBOSSWRZUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-10-7-13(5-6-14(10)17)20-16(22)9-15(21)19-12-4-2-3-11(18)8-12/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide?
N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide has a molecular weight of 365.20 g/mol, XLogP of 3.86, 4 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-(3-fluorophenyl)propanediamide is sourced from PubChem (CID 108956592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).