N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide

C11H13BrN2O2 — CID 103102660

IUPACN-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
SMILESCCN(CC(N)=O)C(=O)c1ccccc1Br
InChIInChI=1S/C11H13BrN2O2/c1-2-14(7-10(13)15)11(16)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H2,13,15)
InChIKeyDTWINIKHAZFTME-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.40
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide

N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide (PubChem CID 103102660) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
PubChem CID103102660
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
SMILESCCN(CC(N)=O)C(=O)c1ccccc1Br
InChIInChI=1S/C11H13BrN2O2/c1-2-14(7-10(13)15)11(16)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H2,13,15)
InChIKeyDTWINIKHAZFTME-UHFFFAOYSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-butyl-N-ethylbenzamide
CID 2164030
N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 103102621
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
2-bromo-N-dodecyl-N-ethylbenzamide
CID 91728318
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884
N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide
CID 103102639
2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid
CID 63649912
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
2-bromo-N,N-dibutylbenzamide
CID 2843235
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide (CID 103102660) is N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide is CCN(CC(N)=O)C(=O)c1ccccc1Br.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide?
The InChIKey is DTWINIKHAZFTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-2-14(7-10(13)15)11(16)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H2,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide?
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide has a molecular weight of 285.14 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide is sourced from PubChem (CID 103102660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).