methyl N-(4-chlorobenzoyl)carbamate

C9H8ClNO3 — CID 713790

IUPACmethyl N-(4-chlorobenzoyl)carbamate
SMILESCOC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO3/c1-14-9(13)11-8(12)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13)
InChIKeyCCDRZBQULBSJLQ-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.84
Rot. Bonds1

About methyl N-(4-chlorobenzoyl)carbamate

methyl N-(4-chlorobenzoyl)carbamate (PubChem CID 713790) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is methyl N-(4-chlorobenzoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-chlorobenzoyl)carbamate
PubChem CID713790
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Namemethyl N-(4-chlorobenzoyl)carbamate
SMILESCOC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO3/c1-14-9(13)11-8(12)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13)
InChIKeyCCDRZBQULBSJLQ-UHFFFAOYSA-N
XLogP1.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-chlorobenzoyl)carbamate?
The IUPAC name of methyl N-(4-chlorobenzoyl)carbamate (CID 713790) is methyl N-(4-chlorobenzoyl)carbamate.
What is the SMILES notation for methyl N-(4-chlorobenzoyl)carbamate?
The canonical SMILES for methyl N-(4-chlorobenzoyl)carbamate is COC(=O)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl N-(4-chlorobenzoyl)carbamate?
The InChIKey is CCDRZBQULBSJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c1-14-9(13)11-8(12)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13).
What are the key properties of methyl N-(4-chlorobenzoyl)carbamate?
methyl N-(4-chlorobenzoyl)carbamate has a molecular weight of 213.62 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-chlorobenzoyl)carbamate is sourced from PubChem (CID 713790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).