N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide

C14H19FN2O2 — CID 108957085

IUPACN-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide
SMILESCCCNC(=O)C(C)(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-4-9-16-12(18)14(2,3)13(19)17-11-8-6-5-7-10(11)15/h5-8H,4,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPDVDCDUTWWZXQI-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.32
Rot. Bonds5

About N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide

N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide (PubChem CID 108957085) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide
PubChem CID108957085
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide
SMILESCCCNC(=O)C(C)(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-4-9-16-12(18)14(2,3)13(19)17-11-8-6-5-7-10(11)15/h5-8H,4,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPDVDCDUTWWZXQI-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.32
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-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965063
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
CID 108957078
N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967144
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957073
N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960434
ethyl 2-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]benzoate
CID 108957160
N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108957871
N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108968722
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968743
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide?
The IUPAC name of N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide (CID 108957085) is N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide.
What is the SMILES notation for N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide?
The canonical SMILES for N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide is CCCNC(=O)C(C)(C)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide?
The InChIKey is PDVDCDUTWWZXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-4-9-16-12(18)14(2,3)13(19)17-11-8-6-5-7-10(11)15/h5-8H,4,9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide?
N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide has a molecular weight of 266.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide is sourced from PubChem (CID 108957085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).