5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide

C13H17Cl2N3O2 — CID 107185636

IUPAC5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-13(2,3)18-10(19)6-17-12(20)8-4-7(16)5-9(14)11(8)15/h4-5H,6,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySGCLPNYZVPZEDO-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.22
Rot. Bonds3

About 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide

5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide (PubChem CID 107185636) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
PubChem CID107185636
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-13(2,3)18-10(19)6-17-12(20)8-4-7(16)5-9(14)11(8)15/h4-5H,6,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySGCLPNYZVPZEDO-UHFFFAOYSA-N
XLogP2.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.22
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-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide
CID 114924235
5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 107183328
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819
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
N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide
CID 115357292
N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
CID 115279278
5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 107185821
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
CID 115355845
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide?
The IUPAC name of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide (CID 107185636) is 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide.
What is the SMILES notation for 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide?
The canonical SMILES for 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide is CC(C)(C)NC(=O)CNC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide?
The InChIKey is SGCLPNYZVPZEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-13(2,3)18-10(19)6-17-12(20)8-4-7(16)5-9(14)11(8)15/h4-5H,6,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide?
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide has a molecular weight of 318.20 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide is sourced from PubChem (CID 107185636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).