N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide

C11H11Cl2N3O3 — CID 9295430

IUPACN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
SMILESNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3O3/c12-7-2-1-6(3-8(7)13)11(19)16-5-10(18)15-4-9(14)17/h1-3H,4-5H2,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyMKPXZQCIWMGPPF-UHFFFAOYSA-N
MW304.13 g/mol
LogP0.32
Rot. Bonds5

About N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide

N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide (PubChem CID 9295430) has the molecular formula C11H11Cl2N3O3 and a molecular weight of 304.13 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
PubChem CID9295430
Molecular FormulaC11H11Cl2N3O3
Molecular Weight304.13 g/mol
Exact Mass303.02
IUPAC NameN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
SMILESNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3O3/c12-7-2-1-6(3-8(7)13)11(19)16-5-10(18)15-4-9(14)17/h1-3H,4-5H2,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyMKPXZQCIWMGPPF-UHFFFAOYSA-N
XLogP0.32
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119405889
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001415
5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid
CID 119234912
3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120828973
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 120652500
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9246284
3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366131
3,4-dichloro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 9332038

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide (CID 9295430) is N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide is NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide?
The InChIKey is MKPXZQCIWMGPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3/c12-7-2-1-6(3-8(7)13)11(19)16-5-10(18)15-4-9(14)17/h1-3H,4-5H2,(H2,14,17)(H,15,18)(H,16,19).
What are the key properties of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide?
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide has a molecular weight of 304.13 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 9295430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).