tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate

C13H17Cl2N3O3 — CID 142632500

IUPACtert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NNc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O3/c1-13(2,3)21-12(20)16-7-11(19)18-17-10-6-8(14)4-5-9(10)15/h4-6,17H,7H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDXJUNKYNLFUMEH-UHFFFAOYSA-N
MW334.20 g/mol
LogP2.96
Rot. Bonds4

About tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate (PubChem CID 142632500) has the molecular formula C13H17Cl2N3O3 and a molecular weight of 334.20 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate
PubChem CID142632500
Molecular FormulaC13H17Cl2N3O3
Molecular Weight334.20 g/mol
Exact Mass333.06
IUPAC Nametert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NNc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O3/c1-13(2,3)21-12(20)16-7-11(19)18-17-10-6-8(14)4-5-9(10)15/h4-6,17H,7H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDXJUNKYNLFUMEH-UHFFFAOYSA-N
XLogP2.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 142632404
tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate
CID 59689146
tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate
CID 134311773
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8946515
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
(4-chlorophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 137320625
tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate
CID 165341337
tert-butyl N-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917028
tert-butyl N-[3-(2,4-dichlorophenyl)propyl]carbamate
CID 91048195
tert-butyl N-[2-[(5-chloro-2-fluorophenyl)methylamino]-2-methylpropyl]carbamate
CID 103844995
2,2-bis(4-chlorophenyl)-N'-(2,5-dichlorophenyl)-2-hydroxyacetohydrazide
CID 5140750

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate (CID 142632500) is tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NNc1cc(Cl)ccc1Cl.
What is the InChIKey of tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate?
The InChIKey is DXJUNKYNLFUMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O3/c1-13(2,3)21-12(20)16-7-11(19)18-17-10-6-8(14)4-5-9(10)15/h4-6,17H,7H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate has a molecular weight of 334.20 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate is sourced from PubChem (CID 142632500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).