ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate

C11H10Cl3NO2 — CID 621078

IUPACethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate
SMILESCCOC(=O)NC(=C(Cl)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H10Cl3NO2/c1-2-17-11(16)15-9(10(13)14)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,15,16)
InChIKeyMKPUJEQPRLSXIT-UHFFFAOYSA-N
MW294.57 g/mol
LogP4.19
Rot. Bonds3

About ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate

ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate (PubChem CID 621078) has the molecular formula C11H10Cl3NO2 and a molecular weight of 294.57 g/mol. Its IUPAC name is ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate
PubChem CID621078
Molecular FormulaC11H10Cl3NO2
Molecular Weight294.57 g/mol
Exact Mass292.98
IUPAC Nameethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate
SMILESCCOC(=O)NC(=C(Cl)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H10Cl3NO2/c1-2-17-11(16)15-9(10(13)14)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,15,16)
InChIKeyMKPUJEQPRLSXIT-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13021625
ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate
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ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate
CID 86662431
ethyl N-[[[4-(bromomethyl)phenyl]-(4-chlorophenyl)methylidene]amino]carbamate
CID 139790371
ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
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ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
CID 121220788
4-(ethoxycarbonylamino)pentan-2-yl 4-chlorobenzoate
CID 122704702
4-(4-Chlorophenyl)-2-hydroxy-4-oxo-but-2-enoic acid ethyl ester lithium salt
CID 86594818
methyl 4-[1-(ethoxycarbonylamino)propan-2-yl]benzoate
CID 71252299
(E)-1-(4-chlorophenyl)-3-ethoxy-3-(methylamino)prop-2-en-1-one
CID 100936418
CID 69196430
CID 69196430

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate?
The IUPAC name of ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate (CID 621078) is ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate.
What is the SMILES notation for ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate?
The canonical SMILES for ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate is CCOC(=O)NC(=C(Cl)Cl)c1ccc(Cl)cc1.
What is the InChIKey of ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate?
The InChIKey is MKPUJEQPRLSXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO2/c1-2-17-11(16)15-9(10(13)14)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate?
ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate has a molecular weight of 294.57 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate is sourced from PubChem (CID 621078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).