2-fluoro-N,N-di(propan-2-yl)benzamide

C13H18FNO — CID 785786

IUPAC2-fluoro-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C13H18FNO/c1-9(2)15(10(3)4)13(16)11-7-5-6-8-12(11)14/h5-10H,1-4H3
InChIKeyAPHSZFUEGIKHNY-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.08
Rot. Bonds3

About 2-fluoro-N,N-di(propan-2-yl)benzamide

2-fluoro-N,N-di(propan-2-yl)benzamide (PubChem CID 785786) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N,N-di(propan-2-yl)benzamide
PubChem CID785786
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-fluoro-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C13H18FNO/c1-9(2)15(10(3)4)13(16)11-7-5-6-8-12(11)14/h5-10H,1-4H3
InChIKeyAPHSZFUEGIKHNY-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N,N-di(propan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-fluoro-N,N-di(propan-2-yl)benzamide (CID 785786) is 2-fluoro-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1F)C(C)C.
What is the InChIKey of 2-fluoro-N,N-di(propan-2-yl)benzamide?
The InChIKey is APHSZFUEGIKHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(2)15(10(3)4)13(16)11-7-5-6-8-12(11)14/h5-10H,1-4H3.
What are the key properties of 2-fluoro-N,N-di(propan-2-yl)benzamide?
2-fluoro-N,N-di(propan-2-yl)benzamide has a molecular weight of 223.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 785786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).