N-[4-(diethylamino)phenyl]-2-fluorobenzamide

C17H19FN2O — CID 842943

IUPACN-[4-(diethylamino)phenyl]-2-fluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-3-20(4-2)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyYYOWGEMUFKSPSK-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.92
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-2-fluorobenzamide

N-[4-(diethylamino)phenyl]-2-fluorobenzamide (PubChem CID 842943) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-fluorobenzamide
PubChem CID842943
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[4-(diethylamino)phenyl]-2-fluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-3-20(4-2)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyYYOWGEMUFKSPSK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide
CID 11841270
4-cyano-N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 2995098
2-(cyanomethyl)-N-[4-(diethylamino)phenyl]benzamide
CID 94806407
N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
CID 55685027
3-amino-N-[4-(diethylamino)phenyl]-2-methylbenzamide
CID 28723308
N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide
CID 112984282
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-phenylbenzamide
CID 10452870
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-fluorobenzamide (CID 842943) is N-[4-(diethylamino)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-fluorobenzamide is CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-fluorobenzamide?
The InChIKey is YYOWGEMUFKSPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-20(4-2)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18/h5-12H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(diethylamino)phenyl]-2-fluorobenzamide?
N-[4-(diethylamino)phenyl]-2-fluorobenzamide 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 N-[4-(diethylamino)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 842943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).