ethyl N,N-bis(4-chlorophenyl)carbamate

C15H13Cl2NO2 — CID 67612549

IUPACethyl N,N-bis(4-chlorophenyl)carbamate
SMILESCCOC(=O)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2/c1-2-20-15(19)18(13-7-3-11(16)4-8-13)14-9-5-12(17)6-10-14/h3-10H,2H2,1H3
InChIKeyLWMIIHYJLKNUEX-UHFFFAOYSA-N
MW310.18 g/mol
LogP5.29
Rot. Bonds3

About ethyl N,N-bis(4-chlorophenyl)carbamate

ethyl N,N-bis(4-chlorophenyl)carbamate (PubChem CID 67612549) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is ethyl N,N-bis(4-chlorophenyl)carbamate.

Molecular Properties

Compound Nameethyl N,N-bis(4-chlorophenyl)carbamate
PubChem CID67612549
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Nameethyl N,N-bis(4-chlorophenyl)carbamate
SMILESCCOC(=O)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2/c1-2-20-15(19)18(13-7-3-11(16)4-8-13)14-9-5-12(17)6-10-14/h3-10H,2H2,1H3
InChIKeyLWMIIHYJLKNUEX-UHFFFAOYSA-N
XLogP5.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.18
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87547778
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CID 110361011
cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate
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ethyl N,N-diphenylcarbamate;octadeca-2,4,8,10,14,16-hexayne-1,18-diol
CID 88847626
ethyl [[2-(4-chlorophenyl)-2-oxoethyl]disulfanyl]formate
CID 10827391
ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
CID 173195288
1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea
CID 86237214
[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
CID 134104348
ethyl N-carbamoyl-N-(4-methylphenyl)carbamate
CID 3044299
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254

Frequently Asked Questions

What is the IUPAC name of ethyl N,N-bis(4-chlorophenyl)carbamate?
The IUPAC name of ethyl N,N-bis(4-chlorophenyl)carbamate (CID 67612549) is ethyl N,N-bis(4-chlorophenyl)carbamate.
What is the SMILES notation for ethyl N,N-bis(4-chlorophenyl)carbamate?
The canonical SMILES for ethyl N,N-bis(4-chlorophenyl)carbamate is CCOC(=O)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl N,N-bis(4-chlorophenyl)carbamate?
The InChIKey is LWMIIHYJLKNUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-2-20-15(19)18(13-7-3-11(16)4-8-13)14-9-5-12(17)6-10-14/h3-10H,2H2,1H3.
What are the key properties of ethyl N,N-bis(4-chlorophenyl)carbamate?
ethyl N,N-bis(4-chlorophenyl)carbamate has a molecular weight of 310.18 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-bis(4-chlorophenyl)carbamate is sourced from PubChem (CID 67612549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).