2-(3,5-dichlorophenyl)butan-2-yl carbamate

C11H13Cl2NO2 — CID 70480302

IUPAC2-(3,5-dichlorophenyl)butan-2-yl carbamate
SMILESCCC(C)(OC(N)=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-3-11(2,16-10(14)15)7-4-8(12)6-9(13)5-7/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyWBJMIWXAJNUFIM-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.71
Rot. Bonds3

About 2-(3,5-dichlorophenyl)butan-2-yl carbamate

2-(3,5-dichlorophenyl)butan-2-yl carbamate (PubChem CID 70480302) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)butan-2-yl carbamate.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)butan-2-yl carbamate
PubChem CID70480302
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2-(3,5-dichlorophenyl)butan-2-yl carbamate
SMILESCCC(C)(OC(N)=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-3-11(2,16-10(14)15)7-4-8(12)6-9(13)5-7/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyWBJMIWXAJNUFIM-UHFFFAOYSA-N
XLogP3.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dichlorophenyl)butan-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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)butan-2-yl carbamate?
The IUPAC name of 2-(3,5-dichlorophenyl)butan-2-yl carbamate (CID 70480302) is 2-(3,5-dichlorophenyl)butan-2-yl carbamate.
What is the SMILES notation for 2-(3,5-dichlorophenyl)butan-2-yl carbamate?
The canonical SMILES for 2-(3,5-dichlorophenyl)butan-2-yl carbamate is CCC(C)(OC(N)=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)butan-2-yl carbamate?
The InChIKey is WBJMIWXAJNUFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-3-11(2,16-10(14)15)7-4-8(12)6-9(13)5-7/h4-6H,3H2,1-2H3,(H2,14,15).
What are the key properties of 2-(3,5-dichlorophenyl)butan-2-yl carbamate?
2-(3,5-dichlorophenyl)butan-2-yl carbamate has a molecular weight of 262.14 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)butan-2-yl carbamate is sourced from PubChem (CID 70480302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).