4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide

C18H20BrFN2O — CID 34957506

IUPAC4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(Br)cc1F)Cc1ccccc1
InChIInChI=1S/C18H20BrFN2O/c1-22(2)15(10-13-6-4-3-5-7-13)12-21-18(23)16-9-8-14(19)11-17(16)20/h3-9,11,15H,10,12H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyMRWMJCONPZWWMH-HNNXBMFYSA-N
MW379.27 g/mol
LogP3.49
Rot. Bonds6

About 4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide

4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide (PubChem CID 34957506) has the molecular formula C18H20BrFN2O and a molecular weight of 379.27 g/mol. Its IUPAC name is 4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide
PubChem CID34957506
Molecular FormulaC18H20BrFN2O
Molecular Weight379.27 g/mol
Exact Mass378.07
IUPAC Name4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(Br)cc1F)Cc1ccccc1
InChIInChI=1S/C18H20BrFN2O/c1-22(2)15(10-13-6-4-3-5-7-13)12-21-18(23)16-9-8-14(19)11-17(16)20/h3-9,11,15H,10,12H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyMRWMJCONPZWWMH-HNNXBMFYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 53.49
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-(diethylamino)-2-phenylethyl]-2-fluorobenzamide
CID 18167188
5-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9119619
4-[(2S)-3-(benzylcarbamoylamino)-2-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 139568894
4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 24640186
N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide
CID 18109898
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide
CID 51150496
N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 51186413
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide (CID 34957506) is 4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide is CN(C)[C@H](CNC(=O)c1ccc(Br)cc1F)Cc1ccccc1.
What is the InChIKey of 4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide?
The InChIKey is MRWMJCONPZWWMH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20BrFN2O/c1-22(2)15(10-13-6-4-3-5-7-13)12-21-18(23)16-9-8-14(19)11-17(16)20/h3-9,11,15H,10,12H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide?
4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide has a molecular weight of 379.27 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide is sourced from PubChem (CID 34957506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).