4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide

C13H16ClN3O3 — CID 88985152

IUPAC4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide
SMILESCCN(CC=O)C(=O)CNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H16ClN3O3/c1-2-17(5-6-18)12(19)8-16-13(20)10-4-3-9(15)7-11(10)14/h3-4,6-7H,2,5,8,15H2,1H3,(H,16,20)
InChIKeyHNFYEBMZAKUEEF-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.70
Rot. Bonds6

About 4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide

4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide (PubChem CID 88985152) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide
PubChem CID88985152
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide
SMILESCCN(CC=O)C(=O)CNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H16ClN3O3/c1-2-17(5-6-18)12(19)8-16-13(20)10-4-3-9(15)7-11(10)14/h3-4,6-7H,2,5,8,15H2,1H3,(H,16,20)
InChIKeyHNFYEBMZAKUEEF-UHFFFAOYSA-N
XLogP0.70
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride
CID 119874360
2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 60670695
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 102990858
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78901913
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide (CID 88985152) is 4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide is CCN(CC=O)C(=O)CNC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is HNFYEBMZAKUEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-2-17(5-6-18)12(19)8-16-13(20)10-4-3-9(15)7-11(10)14/h3-4,6-7H,2,5,8,15H2,1H3,(H,16,20).
What are the key properties of 4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide?
4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 297.74 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 88985152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).