(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide

C17H18BrFN2O — CID 8009004

IUPAC(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrFN2O/c1-12(17(22)20-16-6-4-3-5-15(16)19)21(2)11-13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyMFXCBBUKOZCLKK-GFCCVEGCSA-N
MW365.25 g/mol
LogP4.05
Rot. Bonds5

About (2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide

(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide (PubChem CID 8009004) has the molecular formula C17H18BrFN2O and a molecular weight of 365.25 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
PubChem CID8009004
Molecular FormulaC17H18BrFN2O
Molecular Weight365.25 g/mol
Exact Mass364.06
IUPAC Name(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrFN2O/c1-12(17(22)20-16-6-4-3-5-15(16)19)21(2)11-13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyMFXCBBUKOZCLKK-GFCCVEGCSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 46801756
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
4-[[[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34635086
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 27072122
(2R)-N-(2-fluorophenyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51932634
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
CID 9274676
N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750362
N-(4-bromo-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 18094027
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide (CID 8009004) is (2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide is C[C@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide?
The InChIKey is MFXCBBUKOZCLKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18BrFN2O/c1-12(17(22)20-16-6-4-3-5-15(16)19)21(2)11-13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide?
(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide has a molecular weight of 365.25 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 8009004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).