tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate

C15H21Cl2N3O4 — CID 142632404

IUPACtert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate
SMILESCC(O)C(NC(=O)OC(C)(C)C)C(=O)NNc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2N3O4/c1-8(21)12(18-14(23)24-15(2,3)4)13(22)20-19-11-7-9(16)5-6-10(11)17/h5-8,12,19,21H,1-4H3,(H,18,23)(H,20,22)
InChIKeyGUGZICJDUJVHJA-UHFFFAOYSA-N
MW378.26 g/mol
LogP2.71
Rot. Bonds5

About tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate

tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate (PubChem CID 142632404) has the molecular formula C15H21Cl2N3O4 and a molecular weight of 378.26 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate
PubChem CID142632404
Molecular FormulaC15H21Cl2N3O4
Molecular Weight378.26 g/mol
Exact Mass377.09
IUPAC Nametert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate
SMILESCC(O)C(NC(=O)OC(C)(C)C)C(=O)NNc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2N3O4/c1-8(21)12(18-14(23)24-15(2,3)4)13(22)20-19-11-7-9(16)5-6-10(11)17/h5-8,12,19,21H,1-4H3,(H,18,23)(H,20,22)
InChIKeyGUGZICJDUJVHJA-UHFFFAOYSA-N
XLogP2.71
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate
CID 142632500
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-[(2S,3S)-1-[4-chloro-2-(2-methylpropanoyl)anilino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 169180845
tert-butyl 2-(2,5-dichloroanilino)propanoate
CID 66337577
tert-butyl N-[(2S,3S)-1-[[(S)-(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 170579961
tert-butyl N-[1-[[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methylamino]-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 142628147
tert-butyl N-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamate
CID 51573379
tert-butyl N-[(2S,3R)-1-(5-chloro-2-methoxyanilino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 124550743
tert-butyl N-[(2R)-1-[4-chloro-2-(2-fluorobenzoyl)anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 139414113
(2S,3S)-3-(2,4-dichlorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762376
benzyl N-[(2S,3R)-3-hydroxy-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-oxobutan-2-yl]carbamate
CID 131878189
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate (CID 142632404) is tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate is CC(O)C(NC(=O)OC(C)(C)C)C(=O)NNc1cc(Cl)ccc1Cl.
What is the InChIKey of tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate?
The InChIKey is GUGZICJDUJVHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O4/c1-8(21)12(18-14(23)24-15(2,3)4)13(22)20-19-11-7-9(16)5-6-10(11)17/h5-8,12,19,21H,1-4H3,(H,18,23)(H,20,22).
What are the key properties of tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate?
tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate has a molecular weight of 378.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(2,5-dichlorophenyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 142632404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).