4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide

C19H22BrFN2O — CID 24640186

IUPAC4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide
SMILESCCc1ccc(C(CNC(=O)c2ccc(Br)cc2F)N(C)C)cc1
InChIInChI=1S/C19H22BrFN2O/c1-4-13-5-7-14(8-6-13)18(23(2)3)12-22-19(24)16-10-9-15(20)11-17(16)21/h5-11,18H,4,12H2,1-3H3,(H,22,24)
InChIKeyPCQXTWYZGKWQFC-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.18
Rot. Bonds6

About 4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide

4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide (PubChem CID 24640186) has the molecular formula C19H22BrFN2O and a molecular weight of 393.30 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide
PubChem CID24640186
Molecular FormulaC19H22BrFN2O
Molecular Weight393.30 g/mol
Exact Mass392.09
IUPAC Name4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide
SMILESCCc1ccc(C(CNC(=O)c2ccc(Br)cc2F)N(C)C)cc1
InChIInChI=1S/C19H22BrFN2O/c1-4-13-5-7-14(8-6-13)18(23(2)3)12-22-19(24)16-10-9-15(20)11-17(16)21/h5-11,18H,4,12H2,1-3H3,(H,22,24)
InChIKeyPCQXTWYZGKWQFC-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluoro-4-nitrobenzamide
CID 87021093
4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide
CID 18167188
2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide
CID 55370135
2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide
CID 42919391
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide
CID 34957506
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078
N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide
CID 43047884
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide (CID 24640186) is 4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide is CCc1ccc(C(CNC(=O)c2ccc(Br)cc2F)N(C)C)cc1.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide?
The InChIKey is PCQXTWYZGKWQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O/c1-4-13-5-7-14(8-6-13)18(23(2)3)12-22-19(24)16-10-9-15(20)11-17(16)21/h5-11,18H,4,12H2,1-3H3,(H,22,24).
What are the key properties of 4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide?
4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide has a molecular weight of 393.30 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 24640186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).