propyl N-(3-chlorophenyl)-N-methylcarbamate

C11H14ClNO2 — CID 174449903

IUPACpropyl N-(3-chlorophenyl)-N-methylcarbamate
SMILESCCCOC(=O)N(C)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-3-7-15-11(14)13(2)10-6-4-5-9(12)8-10/h4-6,8H,3,7H2,1-2H3
InChIKeyPEZVJGPAWYWYEL-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.32
Rot. Bonds3

About propyl N-(3-chlorophenyl)-N-methylcarbamate

propyl N-(3-chlorophenyl)-N-methylcarbamate (PubChem CID 174449903) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is propyl N-(3-chlorophenyl)-N-methylcarbamate.

Molecular Properties

Compound Namepropyl N-(3-chlorophenyl)-N-methylcarbamate
PubChem CID174449903
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namepropyl N-(3-chlorophenyl)-N-methylcarbamate
SMILESCCCOC(=O)N(C)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-3-7-15-11(14)13(2)10-6-4-5-9(12)8-10/h4-6,8H,3,7H2,1-2H3
InChIKeyPEZVJGPAWYWYEL-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-chlorophenyl)-N-methylethanesulfonamide
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2-hydroxyethyl N-methyl-N-phenylcarbamate
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1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine
CID 88840581
S-ethyl N-(chloromethyl)-N-(3-chlorophenyl)carbamothioate
CID 154155907
[2-(3-chlorophenyl)-2-oxoethyl] propyl carbonate
CID 141034666
propyl 2-(3-chloroanilino)acetate
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CID 70029834

Frequently Asked Questions

What is the IUPAC name of propyl N-(3-chlorophenyl)-N-methylcarbamate?
The IUPAC name of propyl N-(3-chlorophenyl)-N-methylcarbamate (CID 174449903) is propyl N-(3-chlorophenyl)-N-methylcarbamate.
What is the SMILES notation for propyl N-(3-chlorophenyl)-N-methylcarbamate?
The canonical SMILES for propyl N-(3-chlorophenyl)-N-methylcarbamate is CCCOC(=O)N(C)c1cccc(Cl)c1.
What is the InChIKey of propyl N-(3-chlorophenyl)-N-methylcarbamate?
The InChIKey is PEZVJGPAWYWYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-7-15-11(14)13(2)10-6-4-5-9(12)8-10/h4-6,8H,3,7H2,1-2H3.
What are the key properties of propyl N-(3-chlorophenyl)-N-methylcarbamate?
propyl N-(3-chlorophenyl)-N-methylcarbamate has a molecular weight of 227.69 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(3-chlorophenyl)-N-methylcarbamate is sourced from PubChem (CID 174449903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).