4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide

C19H22FNO — CID 2741225

IUPAC4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(-c2ccccc2F)cc1)C(C)C
InChIInChI=1S/C19H22FNO/c1-13(2)21(14(3)4)19(22)16-11-9-15(10-12-16)17-7-5-6-8-18(17)20/h5-14H,1-4H3
InChIKeyZRFOIVDJNCJDKE-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.75
Rot. Bonds4

About 4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide

4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide (PubChem CID 2741225) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide
PubChem CID2741225
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(-c2ccccc2F)cc1)C(C)C
InChIInChI=1S/C19H22FNO/c1-13(2)21(14(3)4)19(22)16-11-9-15(10-12-16)17-7-5-6-8-18(17)20/h5-14H,1-4H3
InChIKeyZRFOIVDJNCJDKE-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(2-fluorophenyl)-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 4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide (CID 2741225) is 4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(-c2ccccc2F)cc1)C(C)C.
What is the InChIKey of 4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is ZRFOIVDJNCJDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-13(2)21(14(3)4)19(22)16-11-9-15(10-12-16)17-7-5-6-8-18(17)20/h5-14H,1-4H3.
What are the key properties of 4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide?
4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 299.39 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 2741225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).