2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide

C14H15BrN2O3 — CID 84584773

IUPAC2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
SMILESC#CCNC(=O)CNC(=O)C(C)Oc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O3/c1-3-7-16-13(18)9-17-14(19)10(2)20-12-6-4-5-11(15)8-12/h1,4-6,8,10H,7,9H2,2H3,(H,16,18)(H,17,19)
InChIKeyDZUIGFWDJLPBCY-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.08
Rot. Bonds6

About 2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide

2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide (PubChem CID 84584773) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
PubChem CID84584773
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
SMILESC#CCNC(=O)CNC(=O)C(C)Oc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O3/c1-3-7-16-13(18)9-17-14(19)10(2)20-12-6-4-5-11(15)8-12/h1,4-6,8,10H,7,9H2,2H3,(H,16,18)(H,17,19)
InChIKeyDZUIGFWDJLPBCY-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 43504220
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
3-[2-(3-bromophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 119250044
2-(3-bromophenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 45147934
5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 55347873
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 96533534
N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-tert-butylbenzamide
CID 55347760
(2R)-2-(3-bromophenoxy)-N-(2,6-diethylphenyl)propanamide
CID 1177372
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9370870

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide (CID 84584773) is 2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide is C#CCNC(=O)CNC(=O)C(C)Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide?
The InChIKey is DZUIGFWDJLPBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-3-7-16-13(18)9-17-14(19)10(2)20-12-6-4-5-11(15)8-12/h1,4-6,8,10H,7,9H2,2H3,(H,16,18)(H,17,19).
What are the key properties of 2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide?
2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide has a molecular weight of 339.19 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide is sourced from PubChem (CID 84584773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).