methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate

C17H18ClNO2 — CID 134869146

IUPACmethyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate
SMILESCOC(=O)N(CCc1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-21-17(20)19(13-15-6-3-2-4-7-15)11-10-14-8-5-9-16(18)12-14/h2-9,12H,10-11,13H2,1H3
InChIKeyYMPBEUZNCIUKBR-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.15
Rot. Bonds5

About methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate

methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate (PubChem CID 134869146) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate
PubChem CID134869146
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Namemethyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate
SMILESCOC(=O)N(CCc1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-21-17(20)19(13-15-6-3-2-4-7-15)11-10-14-8-5-9-16(18)12-14/h2-9,12H,10-11,13H2,1H3
InChIKeyYMPBEUZNCIUKBR-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate?
The IUPAC name of methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate (CID 134869146) is methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate?
The canonical SMILES for methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate is COC(=O)N(CCc1cccc(Cl)c1)Cc1ccccc1.
What is the InChIKey of methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate?
The InChIKey is YMPBEUZNCIUKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-17(20)19(13-15-6-3-2-4-7-15)11-10-14-8-5-9-16(18)12-14/h2-9,12H,10-11,13H2,1H3.
What are the key properties of methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate?
methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate has a molecular weight of 303.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzyl-N-[2-(3-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 134869146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).