2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide

C13H18ClN3O2 — CID 63658073

IUPAC2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-2-3-7-17(8-11(16)18)13(19)12-9(14)5-4-6-10(12)15/h4-6H,2-3,7-8,15H2,1H3,(H2,16,18)
InChIKeyJTROOZIXQYWDJZ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.65
Rot. Bonds6

About 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide

2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide (PubChem CID 63658073) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide
PubChem CID63658073
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-2-3-7-17(8-11(16)18)13(19)12-9(14)5-4-6-10(12)15/h4-6H,2-3,7-8,15H2,1H3,(H2,16,18)
InChIKeyJTROOZIXQYWDJZ-UHFFFAOYSA-N
XLogP1.65
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 55244149
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CID 63747289
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
CID 114344176
2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide
CID 63659127
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
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
CID 60766751
3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide
CID 60946441
2-amino-6-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 63658797
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide (CID 63658073) is 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide is CCCCN(CC(N)=O)C(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide?
The InChIKey is JTROOZIXQYWDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-3-7-17(8-11(16)18)13(19)12-9(14)5-4-6-10(12)15/h4-6H,2-3,7-8,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide?
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide is sourced from PubChem (CID 63658073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).