N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide

C14H19BrN2O2 — CID 102672827

IUPACN-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide
SMILESO=C(CNCCC1CCOC1)Nc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c15-12-3-1-2-4-13(12)17-14(18)9-16-7-5-11-6-8-19-10-11/h1-4,11,16H,5-10H2,(H,17,18)
InChIKeySTMMRHZDYHDEMC-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.40
Rot. Bonds6

About N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide

N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide (PubChem CID 102672827) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide
PubChem CID102672827
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide
SMILESO=C(CNCCC1CCOC1)Nc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c15-12-3-1-2-4-13(12)17-14(18)9-16-7-5-11-6-8-19-10-11/h1-4,11,16H,5-10H2,(H,17,18)
InChIKeySTMMRHZDYHDEMC-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60921067
N-(2-bromophenyl)-2-(oxan-3-ylamino)acetamide
CID 55188962
N-(4-fluoro-2-methylphenyl)-2-[3-(oxolan-3-yl)propylamino]acetamide
CID 50958987
N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106130097
N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515633
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
CID 60646717
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583681
3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905253
ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
CID 107095448

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide (CID 102672827) is N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide is O=C(CNCCC1CCOC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide?
The InChIKey is STMMRHZDYHDEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-3-1-2-4-13(12)17-14(18)9-16-7-5-11-6-8-19-10-11/h1-4,11,16H,5-10H2,(H,17,18).
What are the key properties of N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide?
N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide is sourced from PubChem (CID 102672827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).