2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide

C16H17BrN2O — CID 81383148

IUPAC2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11(14-4-2-3-5-15(14)17)19-16(20)10-12-6-8-13(18)9-7-12/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyJVIUEMVRCHTLQS-LLVKDONJSA-N
MW333.23 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide

2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide (PubChem CID 81383148) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
PubChem CID81383148
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11(14-4-2-3-5-15(14)17)19-16(20)10-12-6-8-13(18)9-7-12/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyJVIUEMVRCHTLQS-LLVKDONJSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8759712
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011242
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9152244
N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 42998474
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 25407041
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide (CID 81383148) is 2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide is C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1Br.
What is the InChIKey of 2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide?
The InChIKey is JVIUEMVRCHTLQS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11(14-4-2-3-5-15(14)17)19-16(20)10-12-6-8-13(18)9-7-12/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide?
2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide has a molecular weight of 333.23 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 81383148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).