1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate

C16H21ClFNO5 — CID 171985155

IUPAC1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate
SMILESCC(C)Oc1cc(NC(=O)OC(C)C2(C)OCCO2)c(F)cc1Cl
InChIInChI=1S/C16H21ClFNO5/c1-9(2)23-14-8-13(12(18)7-11(14)17)19-15(20)24-10(3)16(4)21-5-6-22-16/h7-10H,5-6H2,1-4H3,(H,19,20)
InChIKeyPISRRHJSDWOWBO-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.97
Rot. Bonds5

About 1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate

1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate (PubChem CID 171985155) has the molecular formula C16H21ClFNO5 and a molecular weight of 361.80 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate.

Molecular Properties

Compound Name1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate
PubChem CID171985155
Molecular FormulaC16H21ClFNO5
Molecular Weight361.80 g/mol
Exact Mass361.11
IUPAC Name1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate
SMILESCC(C)Oc1cc(NC(=O)OC(C)C2(C)OCCO2)c(F)cc1Cl
InChIInChI=1S/C16H21ClFNO5/c1-9(2)23-14-8-13(12(18)7-11(14)17)19-15(20)24-10(3)16(4)21-5-6-22-16/h7-10H,5-6H2,1-4H3,(H,19,20)
InChIKeyPISRRHJSDWOWBO-UHFFFAOYSA-N
XLogP3.97
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate?
The IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate (CID 171985155) is 1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate.
What is the SMILES notation for 1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate?
The canonical SMILES for 1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate is CC(C)Oc1cc(NC(=O)OC(C)C2(C)OCCO2)c(F)cc1Cl.
What is the InChIKey of 1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate?
The InChIKey is PISRRHJSDWOWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO5/c1-9(2)23-14-8-13(12(18)7-11(14)17)19-15(20)24-10(3)16(4)21-5-6-22-16/h7-10H,5-6H2,1-4H3,(H,19,20).
What are the key properties of 1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate?
1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate has a molecular weight of 361.80 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate is sourced from PubChem (CID 171985155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).