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

C13H18BrNO — CID 100699011

IUPAC2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-3-5-10(2)15-13(16)9-11-6-4-7-12(14)8-11/h4,6-8,10H,3,5,9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyYPVPQWVEFJTQSZ-SNVBAGLBSA-N
MW284.20 g/mol
LogP3.30
Rot. Bonds5

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

2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 100699011) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
PubChem CID100699011
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-3-5-10(2)15-13(16)9-11-6-4-7-12(14)8-11/h4,6-8,10H,3,5,9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyYPVPQWVEFJTQSZ-SNVBAGLBSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942
N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65192905
N-[(3-bromophenyl)methyl]pentan-2-amine
CID 43177710
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
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
2-[[2-(3-bromophenyl)acetyl]amino]-4-sulfanylbutanoic acid
CID 114212516

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide (CID 100699011) is 2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is YPVPQWVEFJTQSZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-5-10(2)15-13(16)9-11-6-4-7-12(14)8-11/h4,6-8,10H,3,5,9H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide?
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 284.20 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 100699011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).