4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide

C19H22BrFN2O — CID 18167188

IUPAC4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C19H22BrFN2O/c1-3-23(4-2)18(14-8-6-5-7-9-14)13-22-19(24)16-11-10-15(20)12-17(16)21/h5-12,18H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyNDSXDJSDUUMJMY-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.40
Rot. Bonds7

About 4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide

4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide (PubChem CID 18167188) has the molecular formula C19H22BrFN2O and a molecular weight of 393.30 g/mol. Its IUPAC name is 4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide
PubChem CID18167188
Molecular FormulaC19H22BrFN2O
Molecular Weight393.30 g/mol
Exact Mass392.09
IUPAC Name4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C19H22BrFN2O/c1-3-23(4-2)18(14-8-6-5-7-9-14)13-22-19(24)16-11-10-15(20)12-17(16)21/h5-12,18H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyNDSXDJSDUUMJMY-UHFFFAOYSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9089971
4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 24640186
N-[2-(4-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide
CID 112503768
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide
CID 34957506
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
N-[2-(diethylamino)-2-phenylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008611

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide (CID 18167188) is 4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide is CCN(CC)C(CNC(=O)c1ccc(Br)cc1F)c1ccccc1.
What is the InChIKey of 4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide?
The InChIKey is NDSXDJSDUUMJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O/c1-3-23(4-2)18(14-8-6-5-7-9-14)13-22-19(24)16-11-10-15(20)12-17(16)21/h5-12,18H,3-4,13H2,1-2H3,(H,22,24).
What are the key properties of 4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide?
4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide has a molecular weight of 393.30 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide is sourced from PubChem (CID 18167188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).