2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide

C18H21BrN2O — CID 9263477

IUPAC2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
SMILESCC[C@@H](NCC(=O)Nc1cccc(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-3-17(14-7-9-15(19)10-8-14)20-12-18(22)21-16-6-4-5-13(2)11-16/h4-11,17,20H,3,12H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyVXKMIXHWWKKMIO-QGZVFWFLSA-N
MW361.28 g/mol
LogP4.44
Rot. Bonds6

About 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide

2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide (PubChem CID 9263477) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
PubChem CID9263477
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
SMILESCC[C@@H](NCC(=O)Nc1cccc(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-3-17(14-7-9-15(19)10-8-14)20-12-18(22)21-16-6-4-5-13(2)11-16/h4-11,17,20H,3,12H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyVXKMIXHWWKKMIO-QGZVFWFLSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263590
N-(4-acetylphenyl)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263772
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263506
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9263205
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9263718
N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide
CID 9264035
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 9263412
N-(3-methylphenyl)-2-[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl]sulfanylacetamide
CID 84973416
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 9263902
N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9296897

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide (CID 9263477) is 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide is CC[C@@H](NCC(=O)Nc1cccc(C)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide?
The InChIKey is VXKMIXHWWKKMIO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-3-17(14-7-9-15(19)10-8-14)20-12-18(22)21-16-6-4-5-13(2)11-16/h4-11,17,20H,3,12H2,1-2H3,(H,21,22)/t17-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide?
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide has a molecular weight of 361.28 g/mol, XLogP of 4.44, 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 9263477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).