2,2-dichloroethenyl N-(3-chlorophenyl)carbamate

C9H6Cl3NO2 — CID 14150192

IUPAC2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OC=C(Cl)Cl
InChIInChI=1S/C9H6Cl3NO2/c10-6-2-1-3-7(4-6)13-9(14)15-5-8(11)12/h1-5H,(H,13,14)
InChIKeyVRCOJXOIMBUCIR-UHFFFAOYSA-N
MW266.51 g/mol
LogP4.16
Rot. Bonds2

About 2,2-dichloroethenyl N-(3-chlorophenyl)carbamate

2,2-dichloroethenyl N-(3-chlorophenyl)carbamate (PubChem CID 14150192) has the molecular formula C9H6Cl3NO2 and a molecular weight of 266.51 g/mol. Its IUPAC name is 2,2-dichloroethenyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
PubChem CID14150192
Molecular FormulaC9H6Cl3NO2
Molecular Weight266.51 g/mol
Exact Mass264.95
IUPAC Name2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OC=C(Cl)Cl
InChIInChI=1S/C9H6Cl3NO2/c10-6-2-1-3-7(4-6)13-9(14)15-5-8(11)12/h1-5H,(H,13,14)
InChIKeyVRCOJXOIMBUCIR-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl N-(3-chlorophenyl)carbamate
CID 16529
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
(E)-but-2-enedioic acid;(3-chlorophenyl)carbamic acid
CID 162332923
(E)-2-chloro-4-(3-chloroanilino)-4-oxobut-2-enoic acid
CID 169488723
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
[3-chloro-2,2-bis(chloromethyl)propyl] N-(3-chlorophenyl)carbamate
CID 819742
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate
CID 14229860
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate
CID 127552969
[3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate
CID 79346589

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethenyl N-(3-chlorophenyl)carbamate?
The IUPAC name of 2,2-dichloroethenyl N-(3-chlorophenyl)carbamate (CID 14150192) is 2,2-dichloroethenyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 2,2-dichloroethenyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 2,2-dichloroethenyl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)OC=C(Cl)Cl.
What is the InChIKey of 2,2-dichloroethenyl N-(3-chlorophenyl)carbamate?
The InChIKey is VRCOJXOIMBUCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl3NO2/c10-6-2-1-3-7(4-6)13-9(14)15-5-8(11)12/h1-5H,(H,13,14).
What are the key properties of 2,2-dichloroethenyl N-(3-chlorophenyl)carbamate?
2,2-dichloroethenyl N-(3-chlorophenyl)carbamate has a molecular weight of 266.51 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethenyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 14150192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).