(2-chlorophenyl) N-(2-oxoethyl)carbamate

C9H8ClNO3 — CID 83821380

IUPAC(2-chlorophenyl) N-(2-oxoethyl)carbamate
SMILESO=CCNC(=O)Oc1ccccc1Cl
InChIInChI=1S/C9H8ClNO3/c10-7-3-1-2-4-8(7)14-9(13)11-5-6-12/h1-4,6H,5H2,(H,11,13)
InChIKeyWNDPGJMEMGMJHH-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.63
Rot. Bonds3

About (2-chlorophenyl) N-(2-oxoethyl)carbamate

(2-chlorophenyl) N-(2-oxoethyl)carbamate (PubChem CID 83821380) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is (2-chlorophenyl) N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Name(2-chlorophenyl) N-(2-oxoethyl)carbamate
PubChem CID83821380
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name(2-chlorophenyl) N-(2-oxoethyl)carbamate
SMILESO=CCNC(=O)Oc1ccccc1Cl
InChIInChI=1S/C9H8ClNO3/c10-7-3-1-2-4-8(7)14-9(13)11-5-6-12/h1-4,6H,5H2,(H,11,13)
InChIKeyWNDPGJMEMGMJHH-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate
CID 83823725
(2-chlorophenyl) N-(2-aminopropyl)carbamate
CID 83823727
(2-chlorophenyl) N-ethenylcarbamate
CID 71409284
2-[(2-chlorophenoxy)carbonylamino]propanoic acid
CID 83825067
(2-chlorophenyl) 3-aminopropanoate
CID 82112337
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
(2-chlorophenyl) 6-oxo-2-(2-oxoethyl)hexanoate
CID 174476376
ethyl (Z)-3-(2-chlorophenoxy)but-2-enoate
CID 66894720
(2-chlorophenyl) prop-2-ynoate
CID 130728916
(2-chlorophenyl) pent-4-enoate
CID 66826844
(2-chlorophenyl) 2-methoxyacetate
CID 542147
1,2-dichlorobenzene;ethyl N-ethylcarbamate
CID 174679223

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) N-(2-oxoethyl)carbamate?
The IUPAC name of (2-chlorophenyl) N-(2-oxoethyl)carbamate (CID 83821380) is (2-chlorophenyl) N-(2-oxoethyl)carbamate.
What is the SMILES notation for (2-chlorophenyl) N-(2-oxoethyl)carbamate?
The canonical SMILES for (2-chlorophenyl) N-(2-oxoethyl)carbamate is O=CCNC(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) N-(2-oxoethyl)carbamate?
The InChIKey is WNDPGJMEMGMJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-7-3-1-2-4-8(7)14-9(13)11-5-6-12/h1-4,6H,5H2,(H,11,13).
What are the key properties of (2-chlorophenyl) N-(2-oxoethyl)carbamate?
(2-chlorophenyl) N-(2-oxoethyl)carbamate has a molecular weight of 213.62 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) N-(2-oxoethyl)carbamate is sourced from PubChem (CID 83821380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).