4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

C17H18BrFN2O — CID 90385105

IUPAC4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Br)c(N(C)C)c1)c1ccc(F)cc1
InChIInChI=1S/C17H18BrFN2O/c1-11(12-4-7-14(19)8-5-12)20-17(22)13-6-9-15(18)16(10-13)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyMJZGVPGDDMHHES-LLVKDONJSA-N
MW365.25 g/mol
LogP4.15
Rot. Bonds4

About 4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 90385105) has the molecular formula C17H18BrFN2O and a molecular weight of 365.25 g/mol. Its IUPAC name is 4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID90385105
Molecular FormulaC17H18BrFN2O
Molecular Weight365.25 g/mol
Exact Mass364.06
IUPAC Name4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Br)c(N(C)C)c1)c1ccc(F)cc1
InChIInChI=1S/C17H18BrFN2O/c1-11(12-4-7-14(19)8-5-12)20-17(22)13-6-9-15(18)16(10-13)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyMJZGVPGDDMHHES-LLVKDONJSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 118662968
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90375300
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide
CID 63525462
4-bromo-3-(dioxolan-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 118669873
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 115297455
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (CID 90385105) is 4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(Br)c(N(C)C)c1)c1ccc(F)cc1.
What is the InChIKey of 4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is MJZGVPGDDMHHES-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18BrFN2O/c1-11(12-4-7-14(19)8-5-12)20-17(22)13-6-9-15(18)16(10-13)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m1/s1.
What are the key properties of 4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 365.25 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 90385105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).