N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide

C15H19FN2O2 — CID 108957398

IUPACN-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccc(F)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H19FN2O2/c1-15(2,14(20)18-12-7-8-12)13(19)17-9-10-3-5-11(16)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyJZISYWHHKKBAJP-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.75
Rot. Bonds5

About N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide

N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108957398) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108957398
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccc(F)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H19FN2O2/c1-15(2,14(20)18-12-7-8-12)13(19)17-9-10-3-5-11(16)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyJZISYWHHKKBAJP-UHFFFAOYSA-N
XLogP1.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.75
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-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959823
3-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-oxopropanamide
CID 108960862
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108962615
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962648
3-[(4-fluorophenyl)methylcarbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 6466809
1-tert-butyl-3-[(4-fluorophenyl)methyl]urea
CID 59397344
tert-butyl N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 55736834
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961824

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide (CID 108957398) is N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)NCc1ccc(F)cc1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is JZISYWHHKKBAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2,14(20)18-12-7-8-12)13(19)17-9-10-3-5-11(16)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 278.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108957398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).