N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide

C12H15BrN2O3 — CID 103102621

IUPACN-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
SMILESCCN(CC(N)=O)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C12H15BrN2O3/c1-3-15(7-11(14)16)12(17)9-6-8(18-2)4-5-10(9)13/h4-6H,3,7H2,1-2H3,(H2,14,16)
InChIKeyFYABLJMMOCXYBX-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.41
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide

N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide (PubChem CID 103102621) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
PubChem CID103102621
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC NameN-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
SMILESCCN(CC(N)=O)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C12H15BrN2O3/c1-3-15(7-11(14)16)12(17)9-6-8(18-2)4-5-10(9)13/h4-6H,3,7H2,1-2H3,(H2,14,16)
InChIKeyFYABLJMMOCXYBX-UHFFFAOYSA-N
XLogP1.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
2-bromo-N-(3-chloropropyl)-N-ethyl-5-methoxybenzamide
CID 113469141
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 55372001
2-bromo-N,N-bis(cyanomethyl)-5-methoxybenzamide
CID 60659165
2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 60636105
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 60779447
2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide
CID 61026430
2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 61026260
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide
CID 103102639

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide (CID 103102621) is N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide is CCN(CC(N)=O)C(=O)c1cc(OC)ccc1Br.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide?
The InChIKey is FYABLJMMOCXYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-3-15(7-11(14)16)12(17)9-6-8(18-2)4-5-10(9)13/h4-6H,3,7H2,1-2H3,(H2,14,16).
What are the key properties of N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide?
N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide has a molecular weight of 315.17 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide is sourced from PubChem (CID 103102621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).