ethyl N-(4-chlorobenzoyl)carbamate

C10H10ClNO3 — CID 713789

IUPACethyl N-(4-chlorobenzoyl)carbamate
SMILESCCOC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3/c1-2-15-10(14)12-9(13)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyDREWEXLXJIRFQG-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.23
Rot. Bonds2

About ethyl N-(4-chlorobenzoyl)carbamate

ethyl N-(4-chlorobenzoyl)carbamate (PubChem CID 713789) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is ethyl N-(4-chlorobenzoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-chlorobenzoyl)carbamate
PubChem CID713789
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Nameethyl N-(4-chlorobenzoyl)carbamate
SMILESCCOC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3/c1-2-15-10(14)12-9(13)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyDREWEXLXJIRFQG-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-chlorobenzoyl)carbamate?
The IUPAC name of ethyl N-(4-chlorobenzoyl)carbamate (CID 713789) is ethyl N-(4-chlorobenzoyl)carbamate.
What is the SMILES notation for ethyl N-(4-chlorobenzoyl)carbamate?
The canonical SMILES for ethyl N-(4-chlorobenzoyl)carbamate is CCOC(=O)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl N-(4-chlorobenzoyl)carbamate?
The InChIKey is DREWEXLXJIRFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-2-15-10(14)12-9(13)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl N-(4-chlorobenzoyl)carbamate?
ethyl N-(4-chlorobenzoyl)carbamate has a molecular weight of 227.65 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-chlorobenzoyl)carbamate is sourced from PubChem (CID 713789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).