5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide

C10H11Cl2N3O2 — CID 107183561

IUPAC5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-14-8(16)4-15-10(17)6-2-5(13)3-7(11)9(6)12/h2-3H,4,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyUJXYUSPSKCSICE-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.05
Rot. Bonds3

About 5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide

5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 107183561) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID107183561
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-14-8(16)4-15-10(17)6-2-5(13)3-7(11)9(6)12/h2-3H,4,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyUJXYUSPSKCSICE-UHFFFAOYSA-N
XLogP1.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 114092848
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114922239
5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 107185821
5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 32559967
5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098995
5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 107183328
5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229457
5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide
CID 107185802

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 107183561) is 5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is UJXYUSPSKCSICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c1-14-8(16)4-15-10(17)6-2-5(13)3-7(11)9(6)12/h2-3H,4,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide?
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 276.12 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 107183561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).