tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate

C14H19Cl2NO3 — CID 57032280

IUPACtert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO3/c1-13(2,3)20-12(18)17-8-14(4,19)9-5-6-10(15)11(16)7-9/h5-7,19H,8H2,1-4H3,(H,17,18)
InChIKeyVRECDOCIUGWDKZ-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.73
Rot. Bonds3

About tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate

tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate (PubChem CID 57032280) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate
PubChem CID57032280
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Nametert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO3/c1-13(2,3)20-12(18)17-8-14(4,19)9-5-6-10(15)11(16)7-9/h5-7,19H,8H2,1-4H3,(H,17,18)
InChIKeyVRECDOCIUGWDKZ-UHFFFAOYSA-N
XLogP3.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
tert-butyl N-[(2R)-1-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate
CID 52805538
ethyl (1E)-2-(3,4-dichlorophenyl)-2-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]propanehydrazonate
CID 71594085
[2-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 165141631
tert-butyl N-[1-cyclopropyl-1-(3,4-dichlorophenyl)-2-hydroxyethyl]carbamate
CID 91226861
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate
CID 122714734
tert-butyl N-[2-(2-chlorophenyl)-2-methyl-3-oxopropyl]carbamate
CID 84731006
methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311073
tert-butyl N-[2-(3,4-dichlorophenyl)-5-hydroxyhexyl]carbamate
CID 57151426
tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropyl]carbamate
CID 107249263

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate (CID 57032280) is tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate is CC(C)(C)OC(=O)NCC(C)(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate?
The InChIKey is VRECDOCIUGWDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-13(2,3)20-12(18)17-8-14(4,19)9-5-6-10(15)11(16)7-9/h5-7,19H,8H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate?
tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate has a molecular weight of 320.22 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 57032280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).