methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate

C11H13Cl2NO2 — CID 110477784

IUPACmethyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,14-10(15)16-3)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H,14,15)
InChIKeyRCTBECDOWLDJMP-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.58
Rot. Bonds2

About methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate

methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate (PubChem CID 110477784) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate
PubChem CID110477784
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Namemethyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,14-10(15)16-3)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H,14,15)
InChIKeyRCTBECDOWLDJMP-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate?
The IUPAC name of methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate (CID 110477784) is methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate?
The canonical SMILES for methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate is COC(=O)NC(C)(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate?
The InChIKey is RCTBECDOWLDJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-11(2,14-10(15)16-3)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H,14,15).
What are the key properties of methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate?
methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate has a molecular weight of 262.14 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate is sourced from PubChem (CID 110477784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).