N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide

C12H15FN2O2 — CID 108940880

IUPACN-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-8(2)14-11(16)7-12(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUBKHOCGWFPTJGY-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.68
Rot. Bonds4

About N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide

N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide (PubChem CID 108940880) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
PubChem CID108940880
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-8(2)14-11(16)7-12(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUBKHOCGWFPTJGY-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.68
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-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959
N-(4-cyanophenyl)-N'-propan-2-ylpropanediamide
CID 108940955
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332
3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38167098
N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954266
N'-[(4-fluorophenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 2251149
N'-(4-fluorophenyl)propanediamide
CID 18174009
(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 7432118
N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 2832938
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide (CID 108940880) is N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide is CC(C)NC(=O)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide?
The InChIKey is UBKHOCGWFPTJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8(2)14-11(16)7-12(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide?
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide has a molecular weight of 238.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 108940880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).