4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide

C17H18BrFN2O — CID 155947722

IUPAC4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide
SMILESCN(C)CC(NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18BrFN2O/c1-21(2)11-16(12-5-9-15(19)10-6-12)20-17(22)13-3-7-14(18)8-4-13/h3-10,16H,11H2,1-2H3,(H,20,22)
InChIKeyRBAAWISLQVSNTN-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.62
Rot. Bonds5

About 4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide

4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 155947722) has the molecular formula C17H18BrFN2O and a molecular weight of 365.25 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID155947722
Molecular FormulaC17H18BrFN2O
Molecular Weight365.25 g/mol
Exact Mass364.06
IUPAC Name4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide
SMILESCN(C)CC(NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18BrFN2O/c1-21(2)11-16(12-5-9-15(19)10-6-12)20-17(22)13-3-7-14(18)8-4-13/h3-10,16H,11H2,1-2H3,(H,20,22)
InChIKeyRBAAWISLQVSNTN-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
CID 43011620
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
4-bromo-N-[3-[[(1R)-2-(dimethylamino)-1-phenylethyl]amino]-3-oxopropyl]benzamide
CID 8937317
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide
CID 60693531
6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide
CID 66462748
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
CID 110281894

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide (CID 155947722) is 4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide is CN(C)CC(NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is RBAAWISLQVSNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O/c1-21(2)11-16(12-5-9-15(19)10-6-12)20-17(22)13-3-7-14(18)8-4-13/h3-10,16H,11H2,1-2H3,(H,20,22).
What are the key properties of 4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide?
4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 365.25 g/mol, XLogP of 3.62, 5 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)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 155947722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).