N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide

C13H19ClN4O2 — CID 115357292

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C13H19ClN4O2/c1-13(2,3)17-11(19)7-16-12(20)9-6-8(14)4-5-10(9)18-15/h4-6,18H,7,15H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyCMMARSBDRYBCQH-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.27
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide (PubChem CID 115357292) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide
PubChem CID115357292
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C13H19ClN4O2/c1-13(2,3)17-11(19)7-16-12(20)9-6-8(14)4-5-10(9)18-15/h4-6,18H,7,15H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyCMMARSBDRYBCQH-UHFFFAOYSA-N
XLogP1.27
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
CID 115279278
5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79555934
N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide
CID 115357279
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
N-[2-(tert-butylamino)-2-oxoethyl]-2-fluoro-5-sulfanylbenzamide
CID 107033256
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
CID 115609101
5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide
CID 62234135
N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 8547148

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide (CID 115357292) is N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide is CC(C)(C)NC(=O)CNC(=O)c1cc(Cl)ccc1NN.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide?
The InChIKey is CMMARSBDRYBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-13(2,3)17-11(19)7-16-12(20)9-6-8(14)4-5-10(9)18-15/h4-6,18H,7,15H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide has a molecular weight of 298.77 g/mol, XLogP of 1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide is sourced from PubChem (CID 115357292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).