1-(2,4-dichlorophenyl)propan-2-yl carbamate

C10H11Cl2NO2 — CID 25013

IUPAC1-(2,4-dichlorophenyl)propan-2-yl carbamate
SMILESCC(Cc1ccc(Cl)cc1Cl)OC(N)=O
InChIInChI=1S/C10H11Cl2NO2/c1-6(15-10(13)14)4-7-2-3-8(11)5-9(7)12/h2-3,5-6H,4H2,1H3,(H2,13,14)
InChIKeyRZEBAIJIWIUHDM-UHFFFAOYSA-N
MW248.11 g/mol
LogP3.02
Rot. Bonds3

About 1-(2,4-dichlorophenyl)propan-2-yl carbamate

1-(2,4-dichlorophenyl)propan-2-yl carbamate (PubChem CID 25013) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)propan-2-yl carbamate.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)propan-2-yl carbamate
PubChem CID25013
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name1-(2,4-dichlorophenyl)propan-2-yl carbamate
SMILESCC(Cc1ccc(Cl)cc1Cl)OC(N)=O
InChIInChI=1S/C10H11Cl2NO2/c1-6(15-10(13)14)4-7-2-3-8(11)5-9(7)12/h2-3,5-6H,4H2,1H3,(H2,13,14)
InChIKeyRZEBAIJIWIUHDM-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dichlorophenyl)propan-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 1-(2,4-dichlorophenyl)propan-2-yl carbamate?
The IUPAC name of 1-(2,4-dichlorophenyl)propan-2-yl carbamate (CID 25013) is 1-(2,4-dichlorophenyl)propan-2-yl carbamate.
What is the SMILES notation for 1-(2,4-dichlorophenyl)propan-2-yl carbamate?
The canonical SMILES for 1-(2,4-dichlorophenyl)propan-2-yl carbamate is CC(Cc1ccc(Cl)cc1Cl)OC(N)=O.
What is the InChIKey of 1-(2,4-dichlorophenyl)propan-2-yl carbamate?
The InChIKey is RZEBAIJIWIUHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-6(15-10(13)14)4-7-2-3-8(11)5-9(7)12/h2-3,5-6H,4H2,1H3,(H2,13,14).
What are the key properties of 1-(2,4-dichlorophenyl)propan-2-yl carbamate?
1-(2,4-dichlorophenyl)propan-2-yl carbamate has a molecular weight of 248.11 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)propan-2-yl carbamate is sourced from PubChem (CID 25013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).