4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide

C12H17FN2O — CID 68733448

IUPAC4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O/c1-15(2)12(16)5-3-4-9-6-7-10(14)8-11(9)13/h6-8H,3-5,14H2,1-2H3
InChIKeyDSPGPMBMQUMRPU-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.82
Rot. Bonds4

About 4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide

4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide (PubChem CID 68733448) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide
PubChem CID68733448
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O/c1-15(2)12(16)5-3-4-9-6-7-10(14)8-11(9)13/h6-8H,3-5,14H2,1-2H3
InChIKeyDSPGPMBMQUMRPU-UHFFFAOYSA-N
XLogP1.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide (CID 68733448) is 4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCc1ccc(N)cc1F.
What is the InChIKey of 4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide?
The InChIKey is DSPGPMBMQUMRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-15(2)12(16)5-3-4-9-6-7-10(14)8-11(9)13/h6-8H,3-5,14H2,1-2H3.
What are the key properties of 4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide?
4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide has a molecular weight of 224.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenyl)-N,N-dimethylbutanamide is sourced from PubChem (CID 68733448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).