2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide

C12H15BrN2O2 — CID 18162727

IUPAC2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-2-7-14-11(16)8-15-12(17)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyMYUDKZMQEYMMGY-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.71
Rot. Bonds5

About 2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide

2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 18162727) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID18162727
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-2-7-14-11(16)8-15-12(17)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyMYUDKZMQEYMMGY-UHFFFAOYSA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-bromo-N-[2-(butanoylamino)ethyl]benzamide
CID 108571199
2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 18104952
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9289290
2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide
CID 171980714
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 65306800
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
3-[[2-[(2-bromobenzoyl)amino]acetyl]amino]butanoic acid
CID 43360744
2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571223
2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 66108423
2-(2,6-dibromoanilino)-N-propylacetamide
CID 107598911

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 18162727) is 2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is MYUDKZMQEYMMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-2-7-14-11(16)8-15-12(17)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide?
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 299.17 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 18162727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).