N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide

C17H19FN2O — CID 16889405

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
SMILESCN(C)c1ccc(CCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-20(2)16-8-6-13(7-9-16)10-11-19-17(21)14-4-3-5-15(18)12-14/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeySSIVHUYMZOAITL-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.86
Rot. Bonds5

About N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide (PubChem CID 16889405) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
PubChem CID16889405
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
SMILESCN(C)c1ccc(CCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-20(2)16-8-6-13(7-9-16)10-11-19-17(21)14-4-3-5-15(18)12-14/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeySSIVHUYMZOAITL-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 72890893
N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795396
N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
CID 146083370
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
3-(dimethylamino)-N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110795352
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide
CID 39371536
5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236480
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 110795180

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide (CID 16889405) is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide is CN(C)c1ccc(CCNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide?
The InChIKey is SSIVHUYMZOAITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-20(2)16-8-6-13(7-9-16)10-11-19-17(21)14-4-3-5-15(18)12-14/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide has a molecular weight of 286.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 16889405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).