2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide

C17H17BrF2N2O — CID 9263902

IUPAC2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
SMILESCC[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrF2N2O/c1-2-15(11-3-5-12(18)6-4-11)21-10-17(23)22-16-9-13(19)7-8-14(16)20/h3-9,15,21H,2,10H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyCGFFTNSQZIJVAC-OAHLLOKOSA-N
MW383.24 g/mol
LogP4.41
Rot. Bonds6

About 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide

2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide (PubChem CID 9263902) has the molecular formula C17H17BrF2N2O and a molecular weight of 383.24 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
PubChem CID9263902
Molecular FormulaC17H17BrF2N2O
Molecular Weight383.24 g/mol
Exact Mass382.05
IUPAC Name2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
SMILESCC[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrF2N2O/c1-2-15(11-3-5-12(18)6-4-11)21-10-17(23)22-16-9-13(19)7-8-14(16)20/h3-9,15,21H,2,10H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyCGFFTNSQZIJVAC-OAHLLOKOSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 9263412
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9263707
N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide
CID 112809099
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263506
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 9263568
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9263205
2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 43467290
methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate
CID 9263761
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9263873
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9263870

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide (CID 9263902) is 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide is CC[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is CGFFTNSQZIJVAC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17BrF2N2O/c1-2-15(11-3-5-12(18)6-4-11)21-10-17(23)22-16-9-13(19)7-8-14(16)20/h3-9,15,21H,2,10H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide?
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 383.24 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 9263902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).