(2,5-dichloro-4-methylphenyl) carbamate

C8H7Cl2NO2 — CID 175535955

IUPAC(2,5-dichloro-4-methylphenyl) carbamate
SMILESCc1cc(Cl)c(OC(N)=O)cc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-4-2-6(10)7(3-5(4)9)13-8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyUZJZOXQCPPILTQ-UHFFFAOYSA-N
MW220.06 g/mol
LogP2.76
Rot. Bonds1

About (2,5-dichloro-4-methylphenyl) carbamate

(2,5-dichloro-4-methylphenyl) carbamate (PubChem CID 175535955) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.06 g/mol. Its IUPAC name is (2,5-dichloro-4-methylphenyl) carbamate.

Molecular Properties

Compound Name(2,5-dichloro-4-methylphenyl) carbamate
PubChem CID175535955
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.06 g/mol
Exact Mass218.99
IUPAC Name(2,5-dichloro-4-methylphenyl) carbamate
SMILESCc1cc(Cl)c(OC(N)=O)cc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-4-2-6(10)7(3-5(4)9)13-8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyUZJZOXQCPPILTQ-UHFFFAOYSA-N
XLogP2.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-methylphenyl) carbamate?
The IUPAC name of (2,5-dichloro-4-methylphenyl) carbamate (CID 175535955) is (2,5-dichloro-4-methylphenyl) carbamate.
What is the SMILES notation for (2,5-dichloro-4-methylphenyl) carbamate?
The canonical SMILES for (2,5-dichloro-4-methylphenyl) carbamate is Cc1cc(Cl)c(OC(N)=O)cc1Cl.
What is the InChIKey of (2,5-dichloro-4-methylphenyl) carbamate?
The InChIKey is UZJZOXQCPPILTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-4-2-6(10)7(3-5(4)9)13-8(11)12/h2-3H,1H3,(H2,11,12).
What are the key properties of (2,5-dichloro-4-methylphenyl) carbamate?
(2,5-dichloro-4-methylphenyl) carbamate has a molecular weight of 220.06 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-methylphenyl) carbamate is sourced from PubChem (CID 175535955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).