N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide

C13H17BrN2O2 — CID 60766751

IUPACN-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-2-3-7-16(9-12(15)17)13(18)10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H2,15,17)
InChIKeyCDCCJYRKZCZRRF-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.18
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide

N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide (PubChem CID 60766751) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
PubChem CID60766751
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-2-3-7-16(9-12(15)17)13(18)10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H2,15,17)
InChIKeyCDCCJYRKZCZRRF-UHFFFAOYSA-N
XLogP2.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
CID 114371555
3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide
CID 60946441
N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide
CID 103735007
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
3-bromo-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4661017
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
CID 114344176
3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
3-(aminomethyl)-N,N-dibutylbenzamide
CID 28982335
3-bromo-N-(2-bromoethyl)-N-ethylbenzamide
CID 80659958

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide (CID 60766751) is N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide is CCCCN(CC(N)=O)C(=O)c1cccc(Br)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide?
The InChIKey is CDCCJYRKZCZRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-2-3-7-16(9-12(15)17)13(18)10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H2,15,17).
What are the key properties of N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide?
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide has a molecular weight of 313.19 g/mol, XLogP of 2.18, 6 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)-3-bromo-N-butylbenzamide is sourced from PubChem (CID 60766751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).