4-(diethylamino)-N-(3-fluorophenyl)benzamide

C17H19FN2O — CID 690502

IUPAC4-(diethylamino)-N-(3-fluorophenyl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-3-20(4-2)16-10-8-13(9-11-16)17(21)19-15-7-5-6-14(18)12-15/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyLAKVKBJIBAZHNO-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.92
Rot. Bonds5

About 4-(diethylamino)-N-(3-fluorophenyl)benzamide

4-(diethylamino)-N-(3-fluorophenyl)benzamide (PubChem CID 690502) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(diethylamino)-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(3-fluorophenyl)benzamide
PubChem CID690502
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-(diethylamino)-N-(3-fluorophenyl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-3-20(4-2)16-10-8-13(9-11-16)17(21)19-15-7-5-6-14(18)12-15/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyLAKVKBJIBAZHNO-UHFFFAOYSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(3-fluorophenyl)benzamide?
The IUPAC name of 4-(diethylamino)-N-(3-fluorophenyl)benzamide (CID 690502) is 4-(diethylamino)-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 4-(diethylamino)-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 4-(diethylamino)-N-(3-fluorophenyl)benzamide is CCN(CC)c1ccc(C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 4-(diethylamino)-N-(3-fluorophenyl)benzamide?
The InChIKey is LAKVKBJIBAZHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-20(4-2)16-10-8-13(9-11-16)17(21)19-15-7-5-6-14(18)12-15/h5-12H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 4-(diethylamino)-N-(3-fluorophenyl)benzamide?
4-(diethylamino)-N-(3-fluorophenyl)benzamide has a molecular weight of 286.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 690502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).