N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide

C17H19BrN2O — CID 27655078

IUPACN-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-12(16-5-3-4-6-17(16)18)19-11-14-7-9-15(10-8-14)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyAIMKMGPKPYEWBE-GFCCVEGCSA-N
MW347.26 g/mol
LogP4.26
Rot. Bonds5

About N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide

N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide (PubChem CID 27655078) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
PubChem CID27655078
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-12(16-5-3-4-6-17(16)18)19-11-14-7-9-15(10-8-14)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyAIMKMGPKPYEWBE-GFCCVEGCSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 81378691
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 81378696
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 81378359
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
(1S)-1-(2-bromophenyl)-N-[(3,4-dibromophenyl)methyl]ethanamine
CID 104865453
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 81383105
N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide
CID 99822871
N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
CID 27654523
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 43221213
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 83230762
(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide
CID 51333812
(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 81382922

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide (CID 27655078) is N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN[C@H](C)c2ccccc2Br)cc1.
What is the InChIKey of N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide?
The InChIKey is AIMKMGPKPYEWBE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12(16-5-3-4-6-17(16)18)19-11-14-7-9-15(10-8-14)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide?
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide has a molecular weight of 347.26 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 27655078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).