2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide

C13H17BrN2O3 — CID 61026430

IUPAC2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C13H17BrN2O3/c1-4-15-12(17)8-16(2)13(18)10-7-9(19-3)5-6-11(10)14/h5-7H,4,8H2,1-3H3,(H,15,17)
InChIKeyHDMIGOSKSGCEIG-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.67
Rot. Bonds5

About 2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide

2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide (PubChem CID 61026430) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide
PubChem CID61026430
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C13H17BrN2O3/c1-4-15-12(17)8-16(2)13(18)10-7-9(19-3)5-6-11(10)14/h5-7H,4,8H2,1-3H3,(H,15,17)
InChIKeyHDMIGOSKSGCEIG-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide
CID 81056379
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454534
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
2-bromo-5-methoxy-N-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 114217626
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide
CID 39952387
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454533
N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 103102621
2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide
CID 172906966
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715879
(E)-N-[2-(ethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 47255947

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide (CID 61026430) is 2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide is CCNC(=O)CN(C)C(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide?
The InChIKey is HDMIGOSKSGCEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-4-15-12(17)8-16(2)13(18)10-7-9(19-3)5-6-11(10)14/h5-7H,4,8H2,1-3H3,(H,15,17).
What are the key properties of 2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide?
2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide has a molecular weight of 329.19 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 61026430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).