N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide

C15H21FN2O2 — CID 108958261

IUPACN-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-5-10(2)17-13(19)15(3,4)14(20)18-12-8-6-11(16)7-9-12/h6-10H,5H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyYQIKAMQNDIWCKF-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.71
Rot. Bonds5

About N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide

N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108958261) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
PubChem CID108958261
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-5-10(2)17-13(19)15(3,4)14(20)18-12-8-6-11(16)7-9-12/h6-10H,5H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyYQIKAMQNDIWCKF-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.71
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'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108958264
N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962173
N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide
CID 108958316
N-butan-2-yl-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108958336
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253555
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957263
N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
N-(3,4-dichlorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968831
1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea
CID 95626056

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide (CID 108958261) is N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide is CCC(C)NC(=O)C(C)(C)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is YQIKAMQNDIWCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-5-10(2)17-13(19)15(3,4)14(20)18-12-8-6-11(16)7-9-12/h6-10H,5H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide?
N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 280.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).