N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide

C17H17F3N2O — CID 51179438

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
SMILESCN(C)C(CNC(=O)c1cc(F)cc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H17F3N2O/c1-22(2)16(11-4-3-5-13(18)6-11)10-21-17(23)12-7-14(19)9-15(20)8-12/h3-9,16H,10H2,1-2H3,(H,21,23)
InChIKeyGFXMSUHHSWIWKU-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide (PubChem CID 51179438) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
PubChem CID51179438
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
SMILESCN(C)C(CNC(=O)c1cc(F)cc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H17F3N2O/c1-22(2)16(11-4-3-5-13(18)6-11)10-21-17(23)12-7-14(19)9-15(20)8-12/h3-9,16H,10H2,1-2H3,(H,21,23)
InChIKeyGFXMSUHHSWIWKU-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methyl-3,5-dinitrobenzamide
CID 78778000
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46522445
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide
CID 32692271
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
6-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 46522593
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110906953
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide (CID 51179438) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide is CN(C)C(CNC(=O)c1cc(F)cc(F)c1)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide?
The InChIKey is GFXMSUHHSWIWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-22(2)16(11-4-3-5-13(18)6-11)10-21-17(23)12-7-14(19)9-15(20)8-12/h3-9,16H,10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide has a molecular weight of 322.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 51179438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).