ethyl N-[(4-chlorophenyl)methyl]carbamate

C10H12ClNO2 — CID 874364

IUPACethyl N-[(4-chlorophenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-2-14-10(13)12-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyAZBJTDJSYADOEC-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.59
Rot. Bonds3

About ethyl N-[(4-chlorophenyl)methyl]carbamate

ethyl N-[(4-chlorophenyl)methyl]carbamate (PubChem CID 874364) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is ethyl N-[(4-chlorophenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-chlorophenyl)methyl]carbamate
PubChem CID874364
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Nameethyl N-[(4-chlorophenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-2-14-10(13)12-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyAZBJTDJSYADOEC-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-chlorophenyl)methyl]carbamate?
The IUPAC name of ethyl N-[(4-chlorophenyl)methyl]carbamate (CID 874364) is ethyl N-[(4-chlorophenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(4-chlorophenyl)methyl]carbamate?
The canonical SMILES for ethyl N-[(4-chlorophenyl)methyl]carbamate is CCOC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of ethyl N-[(4-chlorophenyl)methyl]carbamate?
The InChIKey is AZBJTDJSYADOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-2-14-10(13)12-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of ethyl N-[(4-chlorophenyl)methyl]carbamate?
ethyl N-[(4-chlorophenyl)methyl]carbamate has a molecular weight of 213.66 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-chlorophenyl)methyl]carbamate is sourced from PubChem (CID 874364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).