(3,5-dichlorophenyl) N-tert-butylcarbamate

C11H13Cl2NO2 — CID 174575887

IUPAC(3,5-dichlorophenyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,3)14-10(15)16-9-5-7(12)4-8(13)6-9/h4-6H,1-3H3,(H,14,15)
InChIKeyYVENVGAGPRLOAZ-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.88
Rot. Bonds1

About (3,5-dichlorophenyl) N-tert-butylcarbamate

(3,5-dichlorophenyl) N-tert-butylcarbamate (PubChem CID 174575887) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is (3,5-dichlorophenyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3,5-dichlorophenyl) N-tert-butylcarbamate
PubChem CID174575887
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name(3,5-dichlorophenyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,3)14-10(15)16-9-5-7(12)4-8(13)6-9/h4-6H,1-3H3,(H,14,15)
InChIKeyYVENVGAGPRLOAZ-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate
CID 174375589
(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
bis(3,5-dichlorophenyl) carbonate
CID 139771619
(5-methylthiophen-3-yl) N-tert-butylcarbamate
CID 175217817
(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate
CID 174705376
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
CID 11311209
(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate
CID 91617195
(3,5-dichlorophenyl) 2,2,2-trifluoroacetate
CID 91695317
methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate
CID 110477784
(3-ethynylphenyl) N-tert-butylcarbamate
CID 174589897
(5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate
CID 175215163

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl) N-tert-butylcarbamate?
The IUPAC name of (3,5-dichlorophenyl) N-tert-butylcarbamate (CID 174575887) is (3,5-dichlorophenyl) N-tert-butylcarbamate.
What is the SMILES notation for (3,5-dichlorophenyl) N-tert-butylcarbamate?
The canonical SMILES for (3,5-dichlorophenyl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl) N-tert-butylcarbamate?
The InChIKey is YVENVGAGPRLOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-11(2,3)14-10(15)16-9-5-7(12)4-8(13)6-9/h4-6H,1-3H3,(H,14,15).
What are the key properties of (3,5-dichlorophenyl) N-tert-butylcarbamate?
(3,5-dichlorophenyl) N-tert-butylcarbamate has a molecular weight of 262.14 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl) N-tert-butylcarbamate is sourced from PubChem (CID 174575887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).