1-(2,4-dichlorophenyl)propyl carbamate

C10H11Cl2NO2 — CID 24836177

IUPAC1-(2,4-dichlorophenyl)propyl carbamate
SMILESCCC(OC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO2/c1-2-9(15-10(13)14)7-4-3-6(11)5-8(7)12/h3-5,9H,2H2,1H3,(H2,13,14)
InChIKeyNGSWYFPOBQCXES-UHFFFAOYSA-N
MW248.11 g/mol
LogP3.54
Rot. Bonds3

About 1-(2,4-dichlorophenyl)propyl carbamate

1-(2,4-dichlorophenyl)propyl carbamate (PubChem CID 24836177) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)propyl carbamate.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)propyl carbamate
PubChem CID24836177
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name1-(2,4-dichlorophenyl)propyl carbamate
SMILESCCC(OC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO2/c1-2-9(15-10(13)14)7-4-3-6(11)5-8(7)12/h3-5,9H,2H2,1H3,(H2,13,14)
InChIKeyNGSWYFPOBQCXES-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)propyl carbamate?
The IUPAC name of 1-(2,4-dichlorophenyl)propyl carbamate (CID 24836177) is 1-(2,4-dichlorophenyl)propyl carbamate.
What is the SMILES notation for 1-(2,4-dichlorophenyl)propyl carbamate?
The canonical SMILES for 1-(2,4-dichlorophenyl)propyl carbamate is CCC(OC(N)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)propyl carbamate?
The InChIKey is NGSWYFPOBQCXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-2-9(15-10(13)14)7-4-3-6(11)5-8(7)12/h3-5,9H,2H2,1H3,(H2,13,14).
What are the key properties of 1-(2,4-dichlorophenyl)propyl carbamate?
1-(2,4-dichlorophenyl)propyl carbamate has a molecular weight of 248.11 g/mol, XLogP of 3.54, 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)propyl carbamate is sourced from PubChem (CID 24836177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).