N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide

C18H21FN2O — CID 51186635

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C18H21FN2O/c1-13-7-9-14(10-8-13)18(22)20-12-17(21(2)3)15-5-4-6-16(19)11-15/h4-11,17H,12H2,1-3H3,(H,20,22)
InChIKeyABTOPFHVMMRUQB-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide (PubChem CID 51186635) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
PubChem CID51186635
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C18H21FN2O/c1-13-7-9-14(10-8-13)18(22)20-12-17(21(2)3)15-5-4-6-16(19)11-15/h4-11,17H,12H2,1-3H3,(H,20,22)
InChIKeyABTOPFHVMMRUQB-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55450440
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 46522469
2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669334
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methyl-3,5-dinitrobenzamide
CID 78778000
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46522445
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51926834
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
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]-4-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide (CID 51186635) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(c2cccc(F)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide?
The InChIKey is ABTOPFHVMMRUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-13-7-9-14(10-8-13)18(22)20-12-17(21(2)3)15-5-4-6-16(19)11-15/h4-11,17H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 3.17, 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]-4-methylbenzamide is sourced from PubChem (CID 51186635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).