ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate

C13H18ClNO4 — CID 13303966

IUPACethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)c(OCC)c(OCC)c1
InChIInChI=1S/C13H18ClNO4/c1-4-17-11-8-9(15-13(16)19-6-3)7-10(14)12(11)18-5-2/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyKMFXTLYHFDJATC-UHFFFAOYSA-N
MW287.74 g/mol
LogP3.71
Rot. Bonds6

About ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate

ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate (PubChem CID 13303966) has the molecular formula C13H18ClNO4 and a molecular weight of 287.74 g/mol. Its IUPAC name is ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
PubChem CID13303966
Molecular FormulaC13H18ClNO4
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Nameethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)c(OCC)c(OCC)c1
InChIInChI=1S/C13H18ClNO4/c1-4-17-11-8-9(15-13(16)19-6-3)7-10(14)12(11)18-5-2/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyKMFXTLYHFDJATC-UHFFFAOYSA-N
XLogP3.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chlorobut-2-ynyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
CID 13303978
N-(3-chloro-4,5-diethoxyphenyl)propanamide
CID 13343225
N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide
CID 13343277
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
1-(3,5-dimethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869864
ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate
CID 130542983
propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
CID 13303908
3-chloro-4,5-diethoxyaniline
CID 13335752
3-chloro-4,5-diethoxybenzoate
CID 7326781
1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869610
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
N-(3-chloro-4,5-diethoxyphenyl)-2-[(3-chloro-2,5-diethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329613

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate?
The IUPAC name of ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate (CID 13303966) is ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate?
The canonical SMILES for ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate is CCOC(=O)Nc1cc(Cl)c(OCC)c(OCC)c1.
What is the InChIKey of ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate?
The InChIKey is KMFXTLYHFDJATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4/c1-4-17-11-8-9(15-13(16)19-6-3)7-10(14)12(11)18-5-2/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate?
ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate has a molecular weight of 287.74 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate is sourced from PubChem (CID 13303966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).