3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide

C13H17BrN2O2 — CID 106172030

IUPAC3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C13H17BrN2O2/c14-11-4-2-1-3-10(11)8-5-9(6-8)16-7-12(17)13(15)18/h1-4,8-9,12,16-17H,5-7H2,(H2,15,18)
InChIKeyLPKWFBMJPLSKPR-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.13
Rot. Bonds5

About 3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide

3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide (PubChem CID 106172030) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide
PubChem CID106172030
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C13H17BrN2O2/c14-11-4-2-1-3-10(11)8-5-9(6-8)16-7-12(17)13(15)18/h1-4,8-9,12,16-17H,5-7H2,(H2,15,18)
InChIKeyLPKWFBMJPLSKPR-UHFFFAOYSA-N
XLogP1.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
CID 102904692
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115356113
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
CID 106171125
3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 106121067
3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632723
3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634508
N-[3-[[3-(2-bromophenyl)cyclobutyl]amino]propyl]methanesulfonamide
CID 106333342
3-(2-bromophenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82940585

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide (CID 106172030) is 3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide is NC(=O)C(O)CNC1CC(c2ccccc2Br)C1.
What is the InChIKey of 3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide?
The InChIKey is LPKWFBMJPLSKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-11-4-2-1-3-10(11)8-5-9(6-8)16-7-12(17)13(15)18/h1-4,8-9,12,16-17H,5-7H2,(H2,15,18).
What are the key properties of 3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide?
3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide has a molecular weight of 313.19 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106172030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).