N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide

C12H14F2N2O2 — CID 108940959

IUPACN-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2O2/c1-7(2)15-11(17)6-12(18)16-8-3-4-9(13)10(14)5-8/h3-5,7H,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXXZUZAZSRVBOMQ-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.82
Rot. Bonds4

About N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide

N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide (PubChem CID 108940959) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
PubChem CID108940959
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC NameN-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2O2/c1-7(2)15-11(17)6-12(18)16-8-3-4-9(13)10(14)5-8/h3-5,7H,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXXZUZAZSRVBOMQ-UHFFFAOYSA-N
XLogP1.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.82
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'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
N-(3,4-difluorophenyl)propanamide
CID 4285365
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 112779390
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide?
The IUPAC name of N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide (CID 108940959) is N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide is CC(C)NC(=O)CC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide?
The InChIKey is XXZUZAZSRVBOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-7(2)15-11(17)6-12(18)16-8-3-4-9(13)10(14)5-8/h3-5,7H,6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide?
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide has a molecular weight of 256.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 108940959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).