N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide

C11H15BrN2O — CID 104873054

IUPACN-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
SMILESC[C@H](CN)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8(7-13)14-11(15)6-9-3-2-4-10(12)5-9/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyBUIXINLWZZSXSS-MRVPVSSYSA-N
MW271.16 g/mol
LogP1.46
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide

N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide (PubChem CID 104873054) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
PubChem CID104873054
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
SMILESC[C@H](CN)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8(7-13)14-11(15)6-9-3-2-4-10(12)5-9/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyBUIXINLWZZSXSS-MRVPVSSYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65192905
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942
N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide
CID 120505769
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620
(3-bromophenyl) N-(1-aminopropan-2-yl)carbamate
CID 83826083
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133189879
2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide
CID 113272495
N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide
CID 120504505
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide (CID 104873054) is N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide is C[C@H](CN)NC(=O)Cc1cccc(Br)c1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide?
The InChIKey is BUIXINLWZZSXSS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(7-13)14-11(15)6-9-3-2-4-10(12)5-9/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide?
N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide has a molecular weight of 271.16 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 104873054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).